N-[3-[[2-(azepan-1-yl)acetyl]amino]phenyl]propanamide

C17H25N3O2 — CID 54814595

IUPACN-[3-[[2-(azepan-1-yl)acetyl]amino]phenyl]propanamide
SMILESCCC(=O)Nc1cccc(NC(=O)CN2CCCCCC2)c1
InChIInChI=1S/C17H25N3O2/c1-2-16(21)18-14-8-7-9-15(12-14)19-17(22)13-20-10-5-3-4-6-11-20/h7-9,12H,2-6,10-11,13H2,1H3,(H,18,21)(H,19,22)
InChIKeyIBNVSUMSXFYUDR-UHFFFAOYSA-N
MW303.41 g/mol
LogP2.85
Rot. Bonds5

About N-[3-[[2-(azepan-1-yl)acetyl]amino]phenyl]propanamide

N-[3-[[2-(azepan-1-yl)acetyl]amino]phenyl]propanamide (PubChem CID 54814595) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is N-[3-[[2-(azepan-1-yl)acetyl]amino]phenyl]propanamide.

Molecular Properties

Compound NameN-[3-[[2-(azepan-1-yl)acetyl]amino]phenyl]propanamide
PubChem CID54814595
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC NameN-[3-[[2-(azepan-1-yl)acetyl]amino]phenyl]propanamide
SMILESCCC(=O)Nc1cccc(NC(=O)CN2CCCCCC2)c1
InChIInChI=1S/C17H25N3O2/c1-2-16(21)18-14-8-7-9-15(12-14)19-17(22)13-20-10-5-3-4-6-11-20/h7-9,12H,2-6,10-11,13H2,1H3,(H,18,21)(H,19,22)
InChIKeyIBNVSUMSXFYUDR-UHFFFAOYSA-N
XLogP2.85
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 ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[[2-(azepan-1-yl)acetyl]amino]phenyl]propanamide
CID 54814408
2-(azocan-1-yl)-N-(3-methylphenyl)acetamide
CID 2655272
2-(azepan-1-yl)-N-(3-bromophenyl)acetamide
CID 2958639
3-amino-N-[3-[[2-(azepan-1-yl)acetyl]amino]phenyl]butanamide
CID 119870425
2-(azocan-1-yl)-N-(3-methoxyphenyl)acetamide
CID 8583685
3-[[2-(azepan-1-yl)acetyl]amino]benzamide
CID 54814769
2-(azocan-1-yl)-N-(3-methylsulfonylphenyl)acetamide
CID 8680067
3-[[2-(azocan-1-yl)acetyl]amino]-N-methylbenzamide
CID 8679990
N-[3-[[2-(azepan-1-yl)acetyl]amino]phenyl]-4-(methylamino)butanamide;dihydrochloride
CID 119870392
2-(azepan-1-yl)-N-(3-propan-2-yloxyphenyl)acetamide
CID 54814466
N-[3-[[2-(azepan-1-yl)acetyl]amino]phenyl]-3-phenylpropanamide
CID 54814565
N-(3-chlorophenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride
CID 2917131

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(azepan-1-yl)acetyl]amino]phenyl]propanamide?
The IUPAC name of N-[3-[[2-(azepan-1-yl)acetyl]amino]phenyl]propanamide (CID 54814595) is N-[3-[[2-(azepan-1-yl)acetyl]amino]phenyl]propanamide.
What is the SMILES notation for N-[3-[[2-(azepan-1-yl)acetyl]amino]phenyl]propanamide?
The canonical SMILES for N-[3-[[2-(azepan-1-yl)acetyl]amino]phenyl]propanamide is CCC(=O)Nc1cccc(NC(=O)CN2CCCCCC2)c1.
What is the InChIKey of N-[3-[[2-(azepan-1-yl)acetyl]amino]phenyl]propanamide?
The InChIKey is IBNVSUMSXFYUDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-2-16(21)18-14-8-7-9-15(12-14)19-17(22)13-20-10-5-3-4-6-11-20/h7-9,12H,2-6,10-11,13H2,1H3,(H,18,21)(H,19,22).
What are the key properties of N-[3-[[2-(azepan-1-yl)acetyl]amino]phenyl]propanamide?
N-[3-[[2-(azepan-1-yl)acetyl]amino]phenyl]propanamide has a molecular weight of 303.41 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(azepan-1-yl)acetyl]amino]phenyl]propanamide is sourced from PubChem (CID 54814595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).