7-amino-N-(3-amino-3-oxopropyl)-N-phenylheptanamide

C16H25N3O2 — CID 119696693

IUPAC7-amino-N-(3-amino-3-oxopropyl)-N-phenylheptanamide
SMILESNCCCCCCC(=O)N(CCC(N)=O)c1ccccc1
InChIInChI=1S/C16H25N3O2/c17-12-7-2-1-6-10-16(21)19(13-11-15(18)20)14-8-4-3-5-9-14/h3-5,8-9H,1-2,6-7,10-13,17H2,(H2,18,20)
InChIKeyIJZUUKFQMPNQAD-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.80
Rot. Bonds10

About 7-amino-N-(3-amino-3-oxopropyl)-N-phenylheptanamide

7-amino-N-(3-amino-3-oxopropyl)-N-phenylheptanamide (PubChem CID 119696693) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 7-amino-N-(3-amino-3-oxopropyl)-N-phenylheptanamide.

Molecular Properties

Compound Name7-amino-N-(3-amino-3-oxopropyl)-N-phenylheptanamide
PubChem CID119696693
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name7-amino-N-(3-amino-3-oxopropyl)-N-phenylheptanamide
SMILESNCCCCCCC(=O)N(CCC(N)=O)c1ccccc1
InChIInChI=1S/C16H25N3O2/c17-12-7-2-1-6-10-16(21)19(13-11-15(18)20)14-8-4-3-5-9-14/h3-5,8-9H,1-2,6-7,10-13,17H2,(H2,18,20)
InChIKeyIJZUUKFQMPNQAD-UHFFFAOYSA-N
XLogP1.80
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-(3-amino-3-oxopropyl)-N-phenylbutanamide;hydrochloride
CID 119275169
3-amino-N-(3-amino-3-oxopropyl)-N-phenylpropanamide
CID 119275160
N',N'-diphenyldodecanediamide
CID 70400318
4-amino-N-(3-amino-3-oxopropyl)-N-(3-methylphenyl)butanamide;hydrochloride
CID 119311463
4-[N-(3-aminopropanoyl)anilino]butanoic acid
CID 61161462
3-(N-octanoylanilino)propanoic acid
CID 60831115
4-amino-N-ethyl-N-phenylbutanamide;hydrochloride
CID 119261842
7-amino-N-phenyl-N-(thiophen-3-ylmethyl)heptanamide
CID 119767431
2-[N-(6-aminohexanoyl)-4-chloroanilino]acetic acid
CID 61162256
N,N'-bis(3-amino-3-oxopropyl)-N,N'-dibenzylhexanediamide
CID 28642999
3-(N-[2-(1-hydroxycyclohexyl)acetyl]anilino)propanamide
CID 111537760
3-(N-[2-(2-chlorophenyl)sulfanylacetyl]anilino)propanamide
CID 27312033

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-(3-amino-3-oxopropyl)-N-phenylheptanamide?
The IUPAC name of 7-amino-N-(3-amino-3-oxopropyl)-N-phenylheptanamide (CID 119696693) is 7-amino-N-(3-amino-3-oxopropyl)-N-phenylheptanamide.
What is the SMILES notation for 7-amino-N-(3-amino-3-oxopropyl)-N-phenylheptanamide?
The canonical SMILES for 7-amino-N-(3-amino-3-oxopropyl)-N-phenylheptanamide is NCCCCCCC(=O)N(CCC(N)=O)c1ccccc1.
What is the InChIKey of 7-amino-N-(3-amino-3-oxopropyl)-N-phenylheptanamide?
The InChIKey is IJZUUKFQMPNQAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c17-12-7-2-1-6-10-16(21)19(13-11-15(18)20)14-8-4-3-5-9-14/h3-5,8-9H,1-2,6-7,10-13,17H2,(H2,18,20).
What are the key properties of 7-amino-N-(3-amino-3-oxopropyl)-N-phenylheptanamide?
7-amino-N-(3-amino-3-oxopropyl)-N-phenylheptanamide has a molecular weight of 291.39 g/mol, XLogP of 1.80, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-(3-amino-3-oxopropyl)-N-phenylheptanamide is sourced from PubChem (CID 119696693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).