3-acetamido-N-[4-(azepan-1-yl)phenyl]propanamide

C17H25N3O2 — CID 17462050

IUPAC3-acetamido-N-[4-(azepan-1-yl)phenyl]propanamide
SMILESCC(=O)NCCC(=O)Nc1ccc(N2CCCCCC2)cc1
InChIInChI=1S/C17H25N3O2/c1-14(21)18-11-10-17(22)19-15-6-8-16(9-7-15)20-12-4-2-3-5-13-20/h6-9H,2-5,10-13H2,1H3,(H,18,21)(H,19,22)
InChIKeySZCRPOHLVOFCPJ-UHFFFAOYSA-N
MW303.41 g/mol
LogP2.53
Rot. Bonds5

About 3-acetamido-N-[4-(azepan-1-yl)phenyl]propanamide

3-acetamido-N-[4-(azepan-1-yl)phenyl]propanamide (PubChem CID 17462050) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 3-acetamido-N-[4-(azepan-1-yl)phenyl]propanamide.

Molecular Properties

Compound Name3-acetamido-N-[4-(azepan-1-yl)phenyl]propanamide
PubChem CID17462050
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name3-acetamido-N-[4-(azepan-1-yl)phenyl]propanamide
SMILESCC(=O)NCCC(=O)Nc1ccc(N2CCCCCC2)cc1
InChIInChI=1S/C17H25N3O2/c1-14(21)18-11-10-17(22)19-15-6-8-16(9-7-15)20-12-4-2-3-5-13-20/h6-9H,2-5,10-13H2,1H3,(H,18,21)(H,19,22)
InChIKeySZCRPOHLVOFCPJ-UHFFFAOYSA-N
XLogP2.53
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

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N-(4-piperidin-1-ylphenyl)-3-(4-pyrrolidin-1-ylanilino)propanamide
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3-(4-pyrrolidin-1-ylanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide
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N-phenyl-3-(4-piperidin-1-ylanilino)propanamide
CID 109033849
3-acetamido-N-(6-pyrrolidin-1-yl-3-pyridinyl)propanamide
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3-(cyclopentylamino)-N-(4-piperidin-1-ylphenyl)propanamide
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3-(butylamino)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 109012504
3-chloro-N-(4-pyrrolidin-1-ylphenyl)propanamide
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N-phenyl-3-(4-pyrrolidin-1-ylanilino)propanamide
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N-(4-fluorophenyl)-3-(4-pyrrolidin-1-ylanilino)propanamide
CID 109037669

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[4-(azepan-1-yl)phenyl]propanamide?
The IUPAC name of 3-acetamido-N-[4-(azepan-1-yl)phenyl]propanamide (CID 17462050) is 3-acetamido-N-[4-(azepan-1-yl)phenyl]propanamide.
What is the SMILES notation for 3-acetamido-N-[4-(azepan-1-yl)phenyl]propanamide?
The canonical SMILES for 3-acetamido-N-[4-(azepan-1-yl)phenyl]propanamide is CC(=O)NCCC(=O)Nc1ccc(N2CCCCCC2)cc1.
What is the InChIKey of 3-acetamido-N-[4-(azepan-1-yl)phenyl]propanamide?
The InChIKey is SZCRPOHLVOFCPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-14(21)18-11-10-17(22)19-15-6-8-16(9-7-15)20-12-4-2-3-5-13-20/h6-9H,2-5,10-13H2,1H3,(H,18,21)(H,19,22).
What are the key properties of 3-acetamido-N-[4-(azepan-1-yl)phenyl]propanamide?
3-acetamido-N-[4-(azepan-1-yl)phenyl]propanamide has a molecular weight of 303.41 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[4-(azepan-1-yl)phenyl]propanamide is sourced from PubChem (CID 17462050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).