N-(3-aminopropyl)-3-[bis[3-(2-aminoethylamino)-3-oxopropyl]amino]propanamide

C16H35N7O3 — CID 118288521

IUPACN-(3-aminopropyl)-3-[bis[3-(2-aminoethylamino)-3-oxopropyl]amino]propanamide
SMILESNCCCNC(=O)CCN(CCC(=O)NCCN)CCC(=O)NCCN
InChIInChI=1S/C16H35N7O3/c17-5-1-8-20-14(24)2-11-23(12-3-15(25)21-9-6-18)13-4-16(26)22-10-7-19/h1-13,17-19H2,(H,20,24)(H,21,25)(H,22,26)
InChIKeyCQMGSDTVISVZFA-UHFFFAOYSA-N
MW373.50 g/mol
LogP-2.93
Rot. Bonds16

About N-(3-aminopropyl)-3-[bis[3-(2-aminoethylamino)-3-oxopropyl]amino]propanamide

N-(3-aminopropyl)-3-[bis[3-(2-aminoethylamino)-3-oxopropyl]amino]propanamide (PubChem CID 118288521) has the molecular formula C16H35N7O3 and a molecular weight of 373.50 g/mol. Its IUPAC name is N-(3-aminopropyl)-3-[bis[3-(2-aminoethylamino)-3-oxopropyl]amino]propanamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-3-[bis[3-(2-aminoethylamino)-3-oxopropyl]amino]propanamide
PubChem CID118288521
Molecular FormulaC16H35N7O3
Molecular Weight373.50 g/mol
Exact Mass373.28
IUPAC NameN-(3-aminopropyl)-3-[bis[3-(2-aminoethylamino)-3-oxopropyl]amino]propanamide
SMILESNCCCNC(=O)CCN(CCC(=O)NCCN)CCC(=O)NCCN
InChIInChI=1S/C16H35N7O3/c17-5-1-8-20-14(24)2-11-23(12-3-15(25)21-9-6-18)13-4-16(26)22-10-7-19/h1-13,17-19H2,(H,20,24)(H,21,25)(H,22,26)
InChIKeyCQMGSDTVISVZFA-UHFFFAOYSA-N
XLogP-2.93
TPSA168.60 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds16
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.50
LogP ≤ 5-2.93
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-aminopropyl)-3-[[3-(3-aminopropylamino)-3-oxopropyl]-[3-[bis[3-(3-aminopropylamino)-3-oxopropyl]amino]propyl]amino]propanamide
CID 59391592
3-[4-aminobutyl-[3-(3-aminopropylamino)-3-oxopropyl]amino]-N-(3-aminopropyl)propanamide
CID 71362529
N-(3-aminopropyl)-3-[[3-(3-aminopropylamino)-3-oxopropyl]-(2-hydroxyethyl)amino]propanamide
CID 172946431
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-(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
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-(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)-3-[[3-(2-aminoethylamino)-3-oxopropyl]-[2-[3-[[3-[2-[bis[3-(2-aminoethylamino)-3-oxopropyl]amino]ethylamino]-3-oxopropyl]-[bis[3-[2-[bis[3-(2-aminoethylamino)-3-oxopropyl]amino]ethylamino]-3-oxopropyl]amino]amino]propanoylamino]ethyl]amino]propanamide
CID 101243782
N-(2-aminoethyl)-3-[[3-(2-aminoethylamino)-3-oxopropyl]-(3-dimethylsilylpropyl)amino]propanamide
CID 71427849
N-(2-aminoethyl)-3-[[3-(2-aminoethylamino)-3-oxopropyl]-octylamino]propanamide
CID 101430189
N-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]-3-[2-[[3-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethylamino]-3-oxopropyl]-[2-[[3-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethylamino]-3-oxopropyl]-[2-[[3-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethylamino]-3-oxopropyl]-ethylamino]ethyl]amino]ethyl]amino]ethyl-ethylamino]propanamide
CID 132559980
N-[2-[[3-[2-[[3-[2-[[3-(2-aminoethylamino)-3-oxopropyl]-(6-amino-3-oxohexyl)amino]ethylamino]-3-oxopropyl]-[3-[2-[bis[3-(2-aminoethylamino)-3-oxopropyl]amino]ethylamino]-3-oxopropyl]amino]ethylamino]-3-oxopropyl]-[3-[2-[bis[3-[2-[bis[3-(2-aminoethylamino)-3-oxopropyl]amino]ethylamino]-3-oxopropyl]amino]ethylamino]-3-oxopropyl]amino]ethyl]butanamide
CID 58409285

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-3-[bis[3-(2-aminoethylamino)-3-oxopropyl]amino]propanamide?
The IUPAC name of N-(3-aminopropyl)-3-[bis[3-(2-aminoethylamino)-3-oxopropyl]amino]propanamide (CID 118288521) is N-(3-aminopropyl)-3-[bis[3-(2-aminoethylamino)-3-oxopropyl]amino]propanamide.
What is the SMILES notation for N-(3-aminopropyl)-3-[bis[3-(2-aminoethylamino)-3-oxopropyl]amino]propanamide?
The canonical SMILES for N-(3-aminopropyl)-3-[bis[3-(2-aminoethylamino)-3-oxopropyl]amino]propanamide is NCCCNC(=O)CCN(CCC(=O)NCCN)CCC(=O)NCCN.
What is the InChIKey of N-(3-aminopropyl)-3-[bis[3-(2-aminoethylamino)-3-oxopropyl]amino]propanamide?
The InChIKey is CQMGSDTVISVZFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N7O3/c17-5-1-8-20-14(24)2-11-23(12-3-15(25)21-9-6-18)13-4-16(26)22-10-7-19/h1-13,17-19H2,(H,20,24)(H,21,25)(H,22,26).
What are the key properties of N-(3-aminopropyl)-3-[bis[3-(2-aminoethylamino)-3-oxopropyl]amino]propanamide?
N-(3-aminopropyl)-3-[bis[3-(2-aminoethylamino)-3-oxopropyl]amino]propanamide has a molecular weight of 373.50 g/mol, XLogP of -2.93, 16 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-3-[bis[3-(2-aminoethylamino)-3-oxopropyl]amino]propanamide is sourced from PubChem (CID 118288521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).