N-[4-[4-(dimethylamino)azepane-1-carbonyl]phenyl]acetamide

C17H25N3O2 — CID 136536271

IUPACN-[4-[4-(dimethylamino)azepane-1-carbonyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)N2CCCC(N(C)C)CC2)cc1
InChIInChI=1S/C17H25N3O2/c1-13(21)18-15-8-6-14(7-9-15)17(22)20-11-4-5-16(10-12-20)19(2)3/h6-9,16H,4-5,10-12H2,1-3H3,(H,18,21)
InChIKeyRWSUKYXAFIPKJZ-UHFFFAOYSA-N
MW303.41 g/mol
LogP2.20
Rot. Bonds3

About N-[4-[4-(dimethylamino)azepane-1-carbonyl]phenyl]acetamide

N-[4-[4-(dimethylamino)azepane-1-carbonyl]phenyl]acetamide (PubChem CID 136536271) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is N-[4-[4-(dimethylamino)azepane-1-carbonyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[4-(dimethylamino)azepane-1-carbonyl]phenyl]acetamide
PubChem CID136536271
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC NameN-[4-[4-(dimethylamino)azepane-1-carbonyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)N2CCCC(N(C)C)CC2)cc1
InChIInChI=1S/C17H25N3O2/c1-13(21)18-15-8-6-14(7-9-15)17(22)20-11-4-5-16(10-12-20)19(2)3/h6-9,16H,4-5,10-12H2,1-3H3,(H,18,21)
InChIKeyRWSUKYXAFIPKJZ-UHFFFAOYSA-N
XLogP2.20
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1S,2S)-N-[4-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]-2-methylcyclopropane-1-carboxamide
CID 97023008
cis-(1S,2R)-N-[4-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]-2-methylcyclopropane-1-carboxamide
CID 97023007
N-[4-[4-(cyclopropanecarbonyl)-1,4-diazepane-1-carbonyl]phenyl]acetamide
CID 110806427
methyl 4-[4-(dimethylamino)piperidine-1-carbonyl]benzoate
CID 60579417
[4-(dimethylamino)azepan-1-yl]-[4-[2-hydroxyethyl(methyl)amino]phenyl]methanone
CID 77086648
N-[2-[4-(dimethylamino)azepane-1-carbonyl]thiophen-3-yl]acetamide
CID 56881549
1-(4-acetamidobenzoyl)-N-methylpiperidine-4-carboxamide
CID 20973013
N-[4-(3-hydroxypyrrolidine-1-carbonyl)phenyl]acetamide
CID 62918779
N-[4-(4-cyclopropylpiperazine-1-carbonyl)phenyl]acetamide
CID 110741243
2-[cyclohexyl(methyl)amino]-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 54817465
N-[4-[4-(methylaminomethyl)piperidine-1-carbonyl]phenyl]acetamide;hydrochloride
CID 119542570
N-[4-(azepane-1-carbonyl)phenyl]-2-(dimethylamino)acetamide
CID 54843928

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(dimethylamino)azepane-1-carbonyl]phenyl]acetamide?
The IUPAC name of N-[4-[4-(dimethylamino)azepane-1-carbonyl]phenyl]acetamide (CID 136536271) is N-[4-[4-(dimethylamino)azepane-1-carbonyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[4-(dimethylamino)azepane-1-carbonyl]phenyl]acetamide?
The canonical SMILES for N-[4-[4-(dimethylamino)azepane-1-carbonyl]phenyl]acetamide is CC(=O)Nc1ccc(C(=O)N2CCCC(N(C)C)CC2)cc1.
What is the InChIKey of N-[4-[4-(dimethylamino)azepane-1-carbonyl]phenyl]acetamide?
The InChIKey is RWSUKYXAFIPKJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-13(21)18-15-8-6-14(7-9-15)17(22)20-11-4-5-16(10-12-20)19(2)3/h6-9,16H,4-5,10-12H2,1-3H3,(H,18,21).
What are the key properties of N-[4-[4-(dimethylamino)azepane-1-carbonyl]phenyl]acetamide?
N-[4-[4-(dimethylamino)azepane-1-carbonyl]phenyl]acetamide has a molecular weight of 303.41 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(dimethylamino)azepane-1-carbonyl]phenyl]acetamide is sourced from PubChem (CID 136536271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).