1-acetyl-N-(4-phenylbutan-2-yl)azetidine-3-carboxamide

C16H22N2O2 — CID 71785218

IUPAC1-acetyl-N-(4-phenylbutan-2-yl)azetidine-3-carboxamide
SMILESCC(=O)N1CC(C(=O)NC(C)CCc2ccccc2)C1
InChIInChI=1S/C16H22N2O2/c1-12(8-9-14-6-4-3-5-7-14)17-16(20)15-10-18(11-15)13(2)19/h3-7,12,15H,8-11H2,1-2H3,(H,17,20)
InChIKeyPYOIQGAGHSSXBA-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.60
Rot. Bonds5

About 1-acetyl-N-(4-phenylbutan-2-yl)azetidine-3-carboxamide

1-acetyl-N-(4-phenylbutan-2-yl)azetidine-3-carboxamide (PubChem CID 71785218) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 1-acetyl-N-(4-phenylbutan-2-yl)azetidine-3-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-(4-phenylbutan-2-yl)azetidine-3-carboxamide
PubChem CID71785218
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name1-acetyl-N-(4-phenylbutan-2-yl)azetidine-3-carboxamide
SMILESCC(=O)N1CC(C(=O)NC(C)CCc2ccccc2)C1
InChIInChI=1S/C16H22N2O2/c1-12(8-9-14-6-4-3-5-7-14)17-16(20)15-10-18(11-15)13(2)19/h3-7,12,15H,8-11H2,1-2H3,(H,17,20)
InChIKeyPYOIQGAGHSSXBA-UHFFFAOYSA-N
XLogP1.60
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2S)-4-phenylbutan-2-yl]cyclopropanecarboxamide
CID 844321
N-(4-phenylbutan-2-yl)-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide
CID 71785669
1-(5-methyl-1,2-oxazole-3-carbonyl)-N-(4-phenylbutan-2-yl)azetidine-3-carboxamide
CID 90511400
1-[2-(2-fluorophenoxy)acetyl]-N-[(2S)-4-phenylbutan-2-yl]azetidine-3-carboxamide
CID 95367688
1-(1,3-benzodioxole-5-carbonyl)-N-(4-phenylbutan-2-yl)azetidine-3-carboxamide
CID 90512780
N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 6933208
(3S)-1-(4-fluorobenzoyl)-N-[(2R)-4-phenylbutan-2-yl]piperidine-3-carboxamide
CID 39724050
1-benzylsulfonyl-N-[(2S)-4-phenylbutan-2-yl]piperidine-4-carboxamide
CID 29204152
(1S,6R)-3,4-dimethyl-6-[[(2S)-4-phenylbutan-2-yl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 7409293
(2R,3R)-3-[[(2R)-4-phenylbutan-2-yl]carbamoyl]bicyclo[2.2.2]octane-2-carboxylic acid
CID 124771454
2-phenyl-N-(4-phenylbutan-2-yl)cyclopropane-1-carboxamide
CID 4072324
(3R)-1-(benzenesulfonyl)-N-[(2S)-4-phenylbutan-2-yl]piperidine-3-carboxamide
CID 93476471

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-(4-phenylbutan-2-yl)azetidine-3-carboxamide?
The IUPAC name of 1-acetyl-N-(4-phenylbutan-2-yl)azetidine-3-carboxamide (CID 71785218) is 1-acetyl-N-(4-phenylbutan-2-yl)azetidine-3-carboxamide.
What is the SMILES notation for 1-acetyl-N-(4-phenylbutan-2-yl)azetidine-3-carboxamide?
The canonical SMILES for 1-acetyl-N-(4-phenylbutan-2-yl)azetidine-3-carboxamide is CC(=O)N1CC(C(=O)NC(C)CCc2ccccc2)C1.
What is the InChIKey of 1-acetyl-N-(4-phenylbutan-2-yl)azetidine-3-carboxamide?
The InChIKey is PYOIQGAGHSSXBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-12(8-9-14-6-4-3-5-7-14)17-16(20)15-10-18(11-15)13(2)19/h3-7,12,15H,8-11H2,1-2H3,(H,17,20).
What are the key properties of 1-acetyl-N-(4-phenylbutan-2-yl)azetidine-3-carboxamide?
1-acetyl-N-(4-phenylbutan-2-yl)azetidine-3-carboxamide has a molecular weight of 274.36 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-(4-phenylbutan-2-yl)azetidine-3-carboxamide is sourced from PubChem (CID 71785218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).