N-[3-acetamido-5-[(4R)-4-methylazepane-1-carbonyl]phenyl]acetamide

C18H25N3O3 — CID 95040869

IUPACN-[3-acetamido-5-[(4R)-4-methylazepane-1-carbonyl]phenyl]acetamide
SMILESCC(=O)Nc1cc(NC(C)=O)cc(C(=O)N2CCC[C@@H](C)CC2)c1
InChIInChI=1S/C18H25N3O3/c1-12-5-4-7-21(8-6-12)18(24)15-9-16(19-13(2)22)11-17(10-15)20-14(3)23/h9-12H,4-8H2,1-3H3,(H,19,22)(H,20,23)/t12-/m1/s1
InChIKeyWXQKCYIWWMHVDQ-GFCCVEGCSA-N
MW331.42 g/mol
LogP2.87
Rot. Bonds3

About N-[3-acetamido-5-[(4R)-4-methylazepane-1-carbonyl]phenyl]acetamide

N-[3-acetamido-5-[(4R)-4-methylazepane-1-carbonyl]phenyl]acetamide (PubChem CID 95040869) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is N-[3-acetamido-5-[(4R)-4-methylazepane-1-carbonyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-acetamido-5-[(4R)-4-methylazepane-1-carbonyl]phenyl]acetamide
PubChem CID95040869
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC NameN-[3-acetamido-5-[(4R)-4-methylazepane-1-carbonyl]phenyl]acetamide
SMILESCC(=O)Nc1cc(NC(C)=O)cc(C(=O)N2CCC[C@@H](C)CC2)c1
InChIInChI=1S/C18H25N3O3/c1-12-5-4-7-21(8-6-12)18(24)15-9-16(19-13(2)22)11-17(10-15)20-14(3)23/h9-12H,4-8H2,1-3H3,(H,19,22)(H,20,23)/t12-/m1/s1
InChIKeyWXQKCYIWWMHVDQ-GFCCVEGCSA-N
XLogP2.87
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-acetamido-5-[4-(piperidine-1-carbonyl)piperazine-1-carbonyl]phenyl]acetamide
CID 24610391
[3,5-difluoro-4-(methylamino)phenyl]-(4-methylazepan-1-yl)methanone
CID 63626543
N-[3-acetamido-5-(morpholine-4-carbonyl)phenyl]acetamide
CID 18105348
[4-(4-methylpiperidine-1-carbonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 109044208
N-[4-[[5-(4-methylpiperidine-1-carbonyl)-3-pyridinyl]amino]phenyl]acetamide
CID 109227130
N-[3-acetamido-5-(2,6-dimethylmorpholine-4-carbonyl)phenyl]acetamide
CID 18108345
(4-methylazepan-1-yl)-(3-methylphenyl)methanone
CID 84581250
(3-amino-4,5-dichlorophenyl)-(4-methylazepan-1-yl)methanone
CID 63622744
N-(4-acetamidophenyl)-2-[3-(4-methylpiperidine-1-carbonyl)anilino]acetamide
CID 54843300
N-(4-acetamidophenyl)-5-(4-methylpiperidine-1-carbonyl)pyridine-3-carboxamide
CID 109103264
(3-amino-5-methoxyphenyl)-(4-methylazepan-1-yl)methanone
CID 81092592
(4-methylazepan-1-yl)-[4-(propylamino)phenyl]methanone
CID 63626184

Frequently Asked Questions

What is the IUPAC name of N-[3-acetamido-5-[(4R)-4-methylazepane-1-carbonyl]phenyl]acetamide?
The IUPAC name of N-[3-acetamido-5-[(4R)-4-methylazepane-1-carbonyl]phenyl]acetamide (CID 95040869) is N-[3-acetamido-5-[(4R)-4-methylazepane-1-carbonyl]phenyl]acetamide.
What is the SMILES notation for N-[3-acetamido-5-[(4R)-4-methylazepane-1-carbonyl]phenyl]acetamide?
The canonical SMILES for N-[3-acetamido-5-[(4R)-4-methylazepane-1-carbonyl]phenyl]acetamide is CC(=O)Nc1cc(NC(C)=O)cc(C(=O)N2CCC[C@@H](C)CC2)c1.
What is the InChIKey of N-[3-acetamido-5-[(4R)-4-methylazepane-1-carbonyl]phenyl]acetamide?
The InChIKey is WXQKCYIWWMHVDQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-12-5-4-7-21(8-6-12)18(24)15-9-16(19-13(2)22)11-17(10-15)20-14(3)23/h9-12H,4-8H2,1-3H3,(H,19,22)(H,20,23)/t12-/m1/s1.
What are the key properties of N-[3-acetamido-5-[(4R)-4-methylazepane-1-carbonyl]phenyl]acetamide?
N-[3-acetamido-5-[(4R)-4-methylazepane-1-carbonyl]phenyl]acetamide has a molecular weight of 331.42 g/mol, XLogP of 2.87, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-acetamido-5-[(4R)-4-methylazepane-1-carbonyl]phenyl]acetamide is sourced from PubChem (CID 95040869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).