N-[4-[[2-(azepan-1-yl)acetyl]amino]phenyl]propanamide

C17H25N3O2 — CID 54814408

IUPACN-[4-[[2-(azepan-1-yl)acetyl]amino]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(NC(=O)CN2CCCCCC2)cc1
InChIInChI=1S/C17H25N3O2/c1-2-16(21)18-14-7-9-15(10-8-14)19-17(22)13-20-11-5-3-4-6-12-20/h7-10H,2-6,11-13H2,1H3,(H,18,21)(H,19,22)
InChIKeyZJLJPKQWWGHLQM-UHFFFAOYSA-N
MW303.41 g/mol
LogP2.85
Rot. Bonds5

About N-[4-[[2-(azepan-1-yl)acetyl]amino]phenyl]propanamide

N-[4-[[2-(azepan-1-yl)acetyl]amino]phenyl]propanamide (PubChem CID 54814408) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is N-[4-[[2-(azepan-1-yl)acetyl]amino]phenyl]propanamide.

Molecular Properties

Compound NameN-[4-[[2-(azepan-1-yl)acetyl]amino]phenyl]propanamide
PubChem CID54814408
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC NameN-[4-[[2-(azepan-1-yl)acetyl]amino]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(NC(=O)CN2CCCCCC2)cc1
InChIInChI=1S/C17H25N3O2/c1-2-16(21)18-14-7-9-15(10-8-14)19-17(22)13-20-11-5-3-4-6-12-20/h7-10H,2-6,11-13H2,1H3,(H,18,21)(H,19,22)
InChIKeyZJLJPKQWWGHLQM-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-[3-[[2-(azepan-1-yl)acetyl]amino]phenyl]propanamide
CID 54814595
3-methyl-N-[4-[(2-piperidin-1-ylacetyl)amino]phenyl]butanamide
CID 54815187
N-[4-[[2-(azocan-1-yl)acetyl]amino]phenyl]-2-(methylamino)acetamide;hydrochloride
CID 120704274
N-[4-[[2-(azepan-1-yl)acetyl]amino]phenyl]-2-methylpropanamide
CID 54814594
methyl 4-[(2-piperidin-1-ylacetyl)amino]benzoate
CID 566860
2,2-dimethyl-N-[4-[(2-pyrrolidin-1-ylacetyl)amino]phenyl]propanamide
CID 858395
2-pyrrolidin-1-yl-N-[4-[4-[(2-pyrrolidin-1-ylacetyl)amino]phenyl]sulfanylphenyl]acetamide
CID 53323507
2-pyrrolidin-1-yl-N-[4-[4-[(2-pyrrolidin-1-ylacetyl)amino]phenoxy]phenyl]acetamide
CID 647483
N-(4-cyanophenyl)-2-piperidin-1-ylacetamide
CID 2697414
methyl 4-[(2-pyrrolidin-1-ylacetyl)amino]benzoate
CID 558416
2-(azepan-1-yl)-N-(3,4-dimethylphenyl)acetamide
CID 8895959
N-[4-(4-methylsulfanylanilino)phenyl]-2-piperidin-1-ylacetamide
CID 169412134

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(azepan-1-yl)acetyl]amino]phenyl]propanamide?
The IUPAC name of N-[4-[[2-(azepan-1-yl)acetyl]amino]phenyl]propanamide (CID 54814408) is N-[4-[[2-(azepan-1-yl)acetyl]amino]phenyl]propanamide.
What is the SMILES notation for N-[4-[[2-(azepan-1-yl)acetyl]amino]phenyl]propanamide?
The canonical SMILES for N-[4-[[2-(azepan-1-yl)acetyl]amino]phenyl]propanamide is CCC(=O)Nc1ccc(NC(=O)CN2CCCCCC2)cc1.
What is the InChIKey of N-[4-[[2-(azepan-1-yl)acetyl]amino]phenyl]propanamide?
The InChIKey is ZJLJPKQWWGHLQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-2-16(21)18-14-7-9-15(10-8-14)19-17(22)13-20-11-5-3-4-6-12-20/h7-10H,2-6,11-13H2,1H3,(H,18,21)(H,19,22).
What are the key properties of N-[4-[[2-(azepan-1-yl)acetyl]amino]phenyl]propanamide?
N-[4-[[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-[4-[[2-(azepan-1-yl)acetyl]amino]phenyl]propanamide is sourced from PubChem (CID 54814408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).