N-(3-amino-2-hydroxypropyl)-3-[3-[bis[3-[[3-[(3-amino-2-hydroxypropyl)amino]-3-oxopropyl]-(2-hydroxyethyl)amino]propyl]amino]propyl-(2-hydroxyethyl)amino]propanamide

C33H72N10O9 — CID 118288460

IUPACN-(3-amino-2-hydroxypropyl)-3-[3-[bis[3-[[3-[(3-amino-2-hydroxypropyl)amino]-3-oxopropyl]-(2-hydroxyethyl)amino]propyl]amino]propyl-(2-hydroxyethyl)amino]propanamide
SMILESNCC(O)CNC(=O)CCN(CCO)CCCN(CCCN(CCO)CCC(=O)NCC(O)CN)CCCN(CCO)CCC(=O)NCC(O)CN
InChIInChI=1S/C33H72N10O9/c34-22-28(47)25-37-31(50)4-13-41(16-19-44)10-1-7-40(8-2-11-42(17-20-45)14-5-32(51)38-26-29(48)23-35)9-3-12-43(18-21-46)15-6-33(52)39-27-30(49)24-36/h28-30,44-49H,1-27,34-36H2,(H,37,50)(H,38,51)(H,39,52)
InChIKeyYXDJGTCVQYQLQN-UHFFFAOYSA-N
MW753.00 g/mol
LogP-6.18
Rot. Bonds36

About N-(3-amino-2-hydroxypropyl)-3-[3-[bis[3-[[3-[(3-amino-2-hydroxypropyl)amino]-3-oxopropyl]-(2-hydroxyethyl)amino]propyl]amino]propyl-(2-hydroxyethyl)amino]propanamide

N-(3-amino-2-hydroxypropyl)-3-[3-[bis[3-[[3-[(3-amino-2-hydroxypropyl)amino]-3-oxopropyl]-(2-hydroxyethyl)amino]propyl]amino]propyl-(2-hydroxyethyl)amino]propanamide (PubChem CID 118288460) has the molecular formula C33H72N10O9 and a molecular weight of 753.00 g/mol. Its IUPAC name is N-(3-amino-2-hydroxypropyl)-3-[3-[bis[3-[[3-[(3-amino-2-hydroxypropyl)amino]-3-oxopropyl]-(2-hydroxyethyl)amino]propyl]amino]propyl-(2-hydroxyethyl)amino]propanamide.

Molecular Properties

Compound NameN-(3-amino-2-hydroxypropyl)-3-[3-[bis[3-[[3-[(3-amino-2-hydroxypropyl)amino]-3-oxopropyl]-(2-hydroxyethyl)amino]propyl]amino]propyl-(2-hydroxyethyl)amino]propanamide
PubChem CID118288460
Molecular FormulaC33H72N10O9
Molecular Weight753.00 g/mol
Exact Mass752.55
IUPAC NameN-(3-amino-2-hydroxypropyl)-3-[3-[bis[3-[[3-[(3-amino-2-hydroxypropyl)amino]-3-oxopropyl]-(2-hydroxyethyl)amino]propyl]amino]propyl-(2-hydroxyethyl)amino]propanamide
SMILESNCC(O)CNC(=O)CCN(CCO)CCCN(CCCN(CCO)CCC(=O)NCC(O)CN)CCCN(CCO)CCC(=O)NCC(O)CN
InChIInChI=1S/C33H72N10O9/c34-22-28(47)25-37-31(50)4-13-41(16-19-44)10-1-7-40(8-2-11-42(17-20-45)14-5-32(51)38-26-29(48)23-35)9-3-12-43(18-21-46)15-6-33(52)39-27-30(49)24-36/h28-30,44-49H,1-27,34-36H2,(H,37,50)(H,38,51)(H,39,52)
InChIKeyYXDJGTCVQYQLQN-UHFFFAOYSA-N
XLogP-6.18
TPSA299.70 Ų
H-Bond Donors12
H-Bond Acceptors16
Rotatable Bonds36
Heavy Atoms52
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500753.00
LogP ≤ 5-6.18
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1016

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Related Compounds

N-(3-amino-2-hydroxypropyl)-3-[[3-[(3-amino-2-hydroxypropyl)amino]-3-oxopropyl]-[2-[bis[2-[bis[3-[(3-amino-2-hydroxypropyl)amino]-3-oxopropyl]amino]ethyl]amino]ethyl]amino]propanamide
CID 118288451
N-(3-amino-2-hydroxypropyl)-3-[3-[bis[3-[[3-[(3-amino-2-hydroxypropyl)amino]-3-oxopropyl]-propylamino]propyl]amino]propyl-propylamino]propanamide
CID 118288450
N-(3-aminopropyl)-3-[[3-(3-aminopropylamino)-3-oxopropyl]-(2-hydroxyethyl)amino]propanamide
CID 172946431
N-(3-amino-2-hydroxypropyl)butanamide
CID 167081643
N-(3-aminopropyl)-3-[[3-(3-aminopropylamino)-3-oxopropyl]-[3-[bis[3-(3-aminopropylamino)-3-oxopropyl]amino]propyl]amino]propanamide
CID 59391592
N-(2-aminoethyl)-3-[[3-(2-aminoethylamino)-3-oxopropyl]-[3-[3-[bis[3-(2-aminoethylamino)-3-oxopropyl]amino]propylamino]propyl]amino]propanamide
CID 10579255
N-(2-aminoethyl)-4-[2-[[4-(2-aminoethylamino)-4-oxobutyl]-[3-(2-aminoethylamino)-3-oxopropyl]amino]ethyl-[3-(2-aminoethylamino)-3-oxopropyl]amino]butanamide
CID 163628502
N-(3-aminopropyl)-3-[[3-(3-aminopropylamino)-3-oxopropyl]-[3-[3-[[3-[3-[bis[3-(3-aminopropylamino)-3-oxopropyl]amino]propylamino]-3-oxopropyl]-[3-[3-[bis[3-[3-[bis[3-(3-aminopropylamino)-3-oxopropyl]amino]propylamino]-3-oxopropyl]amino]propylamino]propyl]amino]propanoylamino]propyl]amino]propanamide
CID 10796636
N-dodecyl-3-[hexyl(2-hydroxyethyl)amino]propanamide
CID 58105400
20-hydroxy-N-[2-hydroxy-3-(20-hydroxyicosanoylamino)propyl]icosanamide
CID 87382092
3-[4-aminobutyl-[3-(3-aminopropylamino)-3-oxopropyl]amino]-N-(3-aminopropyl)propanamide
CID 71362529
2-[bis[3-[bis(2-hydroxyethyl)amino]propyl]amino]ethanol
CID 167139785

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-hydroxypropyl)-3-[3-[bis[3-[[3-[(3-amino-2-hydroxypropyl)amino]-3-oxopropyl]-(2-hydroxyethyl)amino]propyl]amino]propyl-(2-hydroxyethyl)amino]propanamide?
The IUPAC name of N-(3-amino-2-hydroxypropyl)-3-[3-[bis[3-[[3-[(3-amino-2-hydroxypropyl)amino]-3-oxopropyl]-(2-hydroxyethyl)amino]propyl]amino]propyl-(2-hydroxyethyl)amino]propanamide (CID 118288460) is N-(3-amino-2-hydroxypropyl)-3-[3-[bis[3-[[3-[(3-amino-2-hydroxypropyl)amino]-3-oxopropyl]-(2-hydroxyethyl)amino]propyl]amino]propyl-(2-hydroxyethyl)amino]propanamide.
What is the SMILES notation for N-(3-amino-2-hydroxypropyl)-3-[3-[bis[3-[[3-[(3-amino-2-hydroxypropyl)amino]-3-oxopropyl]-(2-hydroxyethyl)amino]propyl]amino]propyl-(2-hydroxyethyl)amino]propanamide?
The canonical SMILES for N-(3-amino-2-hydroxypropyl)-3-[3-[bis[3-[[3-[(3-amino-2-hydroxypropyl)amino]-3-oxopropyl]-(2-hydroxyethyl)amino]propyl]amino]propyl-(2-hydroxyethyl)amino]propanamide is NCC(O)CNC(=O)CCN(CCO)CCCN(CCCN(CCO)CCC(=O)NCC(O)CN)CCCN(CCO)CCC(=O)NCC(O)CN.
What is the InChIKey of N-(3-amino-2-hydroxypropyl)-3-[3-[bis[3-[[3-[(3-amino-2-hydroxypropyl)amino]-3-oxopropyl]-(2-hydroxyethyl)amino]propyl]amino]propyl-(2-hydroxyethyl)amino]propanamide?
The InChIKey is YXDJGTCVQYQLQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H72N10O9/c34-22-28(47)25-37-31(50)4-13-41(16-19-44)10-1-7-40(8-2-11-42(17-20-45)14-5-32(51)38-26-29(48)23-35)9-3-12-43(18-21-46)15-6-33(52)39-27-30(49)24-36/h28-30,44-49H,1-27,34-36H2,(H,37,50)(H,38,51)(H,39,52).
What are the key properties of N-(3-amino-2-hydroxypropyl)-3-[3-[bis[3-[[3-[(3-amino-2-hydroxypropyl)amino]-3-oxopropyl]-(2-hydroxyethyl)amino]propyl]amino]propyl-(2-hydroxyethyl)amino]propanamide?
N-(3-amino-2-hydroxypropyl)-3-[3-[bis[3-[[3-[(3-amino-2-hydroxypropyl)amino]-3-oxopropyl]-(2-hydroxyethyl)amino]propyl]amino]propyl-(2-hydroxyethyl)amino]propanamide has a molecular weight of 753.00 g/mol, XLogP of -6.18, 36 rotatable bonds, 12 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-hydroxypropyl)-3-[3-[bis[3-[[3-[(3-amino-2-hydroxypropyl)amino]-3-oxopropyl]-(2-hydroxyethyl)amino]propyl]amino]propyl-(2-hydroxyethyl)amino]propanamide is sourced from PubChem (CID 118288460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).