N-(2-aminoethyl)-2-[[2-(2-aminoethylamino)-2-oxoethyl]-[3-[bis[2-(2-aminoethylamino)-2-oxoethyl]amino]-2-hydroxypropyl]amino]acetamide

C19H42N10O5 — CID 87926098

IUPACN-(2-aminoethyl)-2-[[2-(2-aminoethylamino)-2-oxoethyl]-[3-[bis[2-(2-aminoethylamino)-2-oxoethyl]amino]-2-hydroxypropyl]amino]acetamide
SMILESNCCNC(=O)CN(CC(=O)NCCN)CC(O)CN(CC(=O)NCCN)CC(=O)NCCN
InChIInChI=1S/C19H42N10O5/c20-1-5-24-16(31)11-28(12-17(32)25-6-2-21)9-15(30)10-29(13-18(33)26-7-3-22)14-19(34)27-8-4-23/h15,30H,1-14,20-23H2,(H,24,31)(H,25,32)(H,26,33)(H,27,34)
InChIKeyQQPNBCUYXOKWFD-UHFFFAOYSA-N
MW490.61 g/mol
LogP-6.75
Rot. Bonds20

About N-(2-aminoethyl)-2-[[2-(2-aminoethylamino)-2-oxoethyl]-[3-[bis[2-(2-aminoethylamino)-2-oxoethyl]amino]-2-hydroxypropyl]amino]acetamide

N-(2-aminoethyl)-2-[[2-(2-aminoethylamino)-2-oxoethyl]-[3-[bis[2-(2-aminoethylamino)-2-oxoethyl]amino]-2-hydroxypropyl]amino]acetamide (PubChem CID 87926098) has the molecular formula C19H42N10O5 and a molecular weight of 490.61 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-[[2-(2-aminoethylamino)-2-oxoethyl]-[3-[bis[2-(2-aminoethylamino)-2-oxoethyl]amino]-2-hydroxypropyl]amino]acetamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-[[2-(2-aminoethylamino)-2-oxoethyl]-[3-[bis[2-(2-aminoethylamino)-2-oxoethyl]amino]-2-hydroxypropyl]amino]acetamide
PubChem CID87926098
Molecular FormulaC19H42N10O5
Molecular Weight490.61 g/mol
Exact Mass490.33
IUPAC NameN-(2-aminoethyl)-2-[[2-(2-aminoethylamino)-2-oxoethyl]-[3-[bis[2-(2-aminoethylamino)-2-oxoethyl]amino]-2-hydroxypropyl]amino]acetamide
SMILESNCCNC(=O)CN(CC(=O)NCCN)CC(O)CN(CC(=O)NCCN)CC(=O)NCCN
InChIInChI=1S/C19H42N10O5/c20-1-5-24-16(31)11-28(12-17(32)25-6-2-21)9-15(30)10-29(13-18(33)26-7-3-22)14-19(34)27-8-4-23/h15,30H,1-14,20-23H2,(H,24,31)(H,25,32)(H,26,33)(H,27,34)
InChIKeyQQPNBCUYXOKWFD-UHFFFAOYSA-N
XLogP-6.75
TPSA247.19 Ų
H-Bond Donors9
H-Bond Acceptors11
Rotatable Bonds20
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500490.61
LogP ≤ 5-6.75
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1011

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Related Compounds

N-(2-aminoethyl)-2-[[2-(2-aminoethylamino)-2-oxoethyl]-[2-hydroxy-3-(4-methylphenoxy)propyl]amino]acetamide
CID 59029912
N-(2-aminoethyl)-2-[2-hydroxypropyl(methyl)amino]acetamide
CID 62332906
N-(2-aminoethyl)-2-[methyl(pentan-3-yl)amino]acetamide
CID 61209052
CID 59846978
CID 59846978
N-[2-[bis[3-[2-[[2-[2-[bis[3-(2-aminoethylamino)-3-oxopropyl]amino]ethylamino]-2-oxoethyl]-[3-[2-[bis[3-(2-aminoethylamino)-3-oxopropyl]amino]ethylamino]-3-oxopropyl]amino]ethylamino]-3-oxopropyl]amino]ethyl]-3-(dimethylamino)propanamide
CID 88983416
2-[2-[2-[[2-(2-aminoethylamino)-2-oxoethyl]-(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]ethyl-[2-[carboxylatomethyl(2-oxopropyl)amino]ethyl]amino]acetate
CID 140731992
N-dodecyl-2-[[2-hydroxy-3-[tetradecyl-[4-(tetradecylamino)butyl]amino]propyl]-(2-oxopentadecyl)amino]acetamide
CID 146409282
N-(2-aminoethyl)-3-[[3-(2-aminoethylamino)-3-oxopropyl]-[2-[bis[3-(2-aminoethylamino)-3-oxopropyl]amino]ethyl]amino]propanamide;bis(ethane-1,2-diamine)
CID 159293879
2-[bis(2-hydroxyethyl)amino]-N-(3-methylbutyl)acetamide
CID 60686353
2-[bis(3-methylbutyl)amino]-N-(2-hydroxyethyl)acetamide
CID 107870710
N-(3-aminopropyl)-3-[bis[3-(2-aminoethylamino)-3-oxopropyl]amino]propanamide
CID 118288521
N-(2-aminoethyl)butanamide;ethane
CID 143117924

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-[[2-(2-aminoethylamino)-2-oxoethyl]-[3-[bis[2-(2-aminoethylamino)-2-oxoethyl]amino]-2-hydroxypropyl]amino]acetamide?
The IUPAC name of N-(2-aminoethyl)-2-[[2-(2-aminoethylamino)-2-oxoethyl]-[3-[bis[2-(2-aminoethylamino)-2-oxoethyl]amino]-2-hydroxypropyl]amino]acetamide (CID 87926098) is N-(2-aminoethyl)-2-[[2-(2-aminoethylamino)-2-oxoethyl]-[3-[bis[2-(2-aminoethylamino)-2-oxoethyl]amino]-2-hydroxypropyl]amino]acetamide.
What is the SMILES notation for N-(2-aminoethyl)-2-[[2-(2-aminoethylamino)-2-oxoethyl]-[3-[bis[2-(2-aminoethylamino)-2-oxoethyl]amino]-2-hydroxypropyl]amino]acetamide?
The canonical SMILES for N-(2-aminoethyl)-2-[[2-(2-aminoethylamino)-2-oxoethyl]-[3-[bis[2-(2-aminoethylamino)-2-oxoethyl]amino]-2-hydroxypropyl]amino]acetamide is NCCNC(=O)CN(CC(=O)NCCN)CC(O)CN(CC(=O)NCCN)CC(=O)NCCN.
What is the InChIKey of N-(2-aminoethyl)-2-[[2-(2-aminoethylamino)-2-oxoethyl]-[3-[bis[2-(2-aminoethylamino)-2-oxoethyl]amino]-2-hydroxypropyl]amino]acetamide?
The InChIKey is QQPNBCUYXOKWFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H42N10O5/c20-1-5-24-16(31)11-28(12-17(32)25-6-2-21)9-15(30)10-29(13-18(33)26-7-3-22)14-19(34)27-8-4-23/h15,30H,1-14,20-23H2,(H,24,31)(H,25,32)(H,26,33)(H,27,34).
What are the key properties of N-(2-aminoethyl)-2-[[2-(2-aminoethylamino)-2-oxoethyl]-[3-[bis[2-(2-aminoethylamino)-2-oxoethyl]amino]-2-hydroxypropyl]amino]acetamide?
N-(2-aminoethyl)-2-[[2-(2-aminoethylamino)-2-oxoethyl]-[3-[bis[2-(2-aminoethylamino)-2-oxoethyl]amino]-2-hydroxypropyl]amino]acetamide has a molecular weight of 490.61 g/mol, XLogP of -6.75, 20 rotatable bonds, 9 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-[[2-(2-aminoethylamino)-2-oxoethyl]-[3-[bis[2-(2-aminoethylamino)-2-oxoethyl]amino]-2-hydroxypropyl]amino]acetamide is sourced from PubChem (CID 87926098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).