4-(2-aminoethyl)-N-[4-(cyclopropylamino)-4-oxobutyl]heptanamide

C16H31N3O2 — CID 79376552

IUPAC4-(2-aminoethyl)-N-[4-(cyclopropylamino)-4-oxobutyl]heptanamide
SMILESCCCC(CCN)CCC(=O)NCCCC(=O)NC1CC1
InChIInChI=1S/C16H31N3O2/c1-2-4-13(10-11-17)6-9-15(20)18-12-3-5-16(21)19-14-7-8-14/h13-14H,2-12,17H2,1H3,(H,18,20)(H,19,21)
InChIKeyUZKUISUGNMIQBX-UHFFFAOYSA-N
MW297.44 g/mol
LogP1.71
Rot. Bonds12

About 4-(2-aminoethyl)-N-[4-(cyclopropylamino)-4-oxobutyl]heptanamide

4-(2-aminoethyl)-N-[4-(cyclopropylamino)-4-oxobutyl]heptanamide (PubChem CID 79376552) has the molecular formula C16H31N3O2 and a molecular weight of 297.44 g/mol. Its IUPAC name is 4-(2-aminoethyl)-N-[4-(cyclopropylamino)-4-oxobutyl]heptanamide.

Molecular Properties

Compound Name4-(2-aminoethyl)-N-[4-(cyclopropylamino)-4-oxobutyl]heptanamide
PubChem CID79376552
Molecular FormulaC16H31N3O2
Molecular Weight297.44 g/mol
Exact Mass297.24
IUPAC Name4-(2-aminoethyl)-N-[4-(cyclopropylamino)-4-oxobutyl]heptanamide
SMILESCCCC(CCN)CCC(=O)NCCCC(=O)NC1CC1
InChIInChI=1S/C16H31N3O2/c1-2-4-13(10-11-17)6-9-15(20)18-12-3-5-16(21)19-14-7-8-14/h13-14H,2-12,17H2,1H3,(H,18,20)(H,19,21)
InChIKeyUZKUISUGNMIQBX-UHFFFAOYSA-N
XLogP1.71
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(2-aminoethyl)-N-(3-propoxypropyl)heptanamide
CID 82941851
4-amino-N-[3-(cyclopropylamino)-3-oxopropyl]butanamide
CID 79401523
4-(2-aminoethyl)-N-(thiolan-3-yl)heptanamide
CID 103063122
N-cyclopropyl-4-[3-(propan-2-ylamino)propanoylamino]butanamide
CID 79401446
N-cyclopropyl-4-(2-sulfanylpropanoylamino)butanamide
CID 107032147
6-amino-N-[4-(cyclopropylamino)-4-oxobutyl]-4,4-dimethylhexanamide
CID 79401305
2-amino-N-[3-(cyclopropylamino)-3-oxopropyl]pentanamide
CID 79401443
(2R)-2-amino-N-[4-(cyclopropylamino)-4-oxobutyl]butanamide
CID 79401766
N-cyclopropyl-4-(hexan-2-ylamino)butanamide
CID 79394095
4-amino-N-[4-(cyclopropylamino)-4-oxobutyl]-4-methylpentanamide
CID 79401456
2-amino-N-[4-(cyclopropylamino)-4-oxobutyl]-3-methylpentanamide;hydrochloride
CID 119728342
4-(carbamoylamino)-N-cyclopropylbutanamide
CID 78907158

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-N-[4-(cyclopropylamino)-4-oxobutyl]heptanamide?
The IUPAC name of 4-(2-aminoethyl)-N-[4-(cyclopropylamino)-4-oxobutyl]heptanamide (CID 79376552) is 4-(2-aminoethyl)-N-[4-(cyclopropylamino)-4-oxobutyl]heptanamide.
What is the SMILES notation for 4-(2-aminoethyl)-N-[4-(cyclopropylamino)-4-oxobutyl]heptanamide?
The canonical SMILES for 4-(2-aminoethyl)-N-[4-(cyclopropylamino)-4-oxobutyl]heptanamide is CCCC(CCN)CCC(=O)NCCCC(=O)NC1CC1.
What is the InChIKey of 4-(2-aminoethyl)-N-[4-(cyclopropylamino)-4-oxobutyl]heptanamide?
The InChIKey is UZKUISUGNMIQBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O2/c1-2-4-13(10-11-17)6-9-15(20)18-12-3-5-16(21)19-14-7-8-14/h13-14H,2-12,17H2,1H3,(H,18,20)(H,19,21).
What are the key properties of 4-(2-aminoethyl)-N-[4-(cyclopropylamino)-4-oxobutyl]heptanamide?
4-(2-aminoethyl)-N-[4-(cyclopropylamino)-4-oxobutyl]heptanamide has a molecular weight of 297.44 g/mol, XLogP of 1.71, 12 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-N-[4-(cyclopropylamino)-4-oxobutyl]heptanamide is sourced from PubChem (CID 79376552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).