N-(5-acetamido-2-methoxyphenyl)-2-(azetidin-3-yl)propanamide

C15H21N3O3 — CID 116675530

IUPACN-(5-acetamido-2-methoxyphenyl)-2-(azetidin-3-yl)propanamide
SMILESCOc1ccc(NC(C)=O)cc1NC(=O)C(C)C1CNC1
InChIInChI=1S/C15H21N3O3/c1-9(11-7-16-8-11)15(20)18-13-6-12(17-10(2)19)4-5-14(13)21-3/h4-6,9,11,16H,7-8H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyXYEHLFCPFMFPHH-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.45
Rot. Bonds5

About N-(5-acetamido-2-methoxyphenyl)-2-(azetidin-3-yl)propanamide

N-(5-acetamido-2-methoxyphenyl)-2-(azetidin-3-yl)propanamide (PubChem CID 116675530) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is N-(5-acetamido-2-methoxyphenyl)-2-(azetidin-3-yl)propanamide.

Molecular Properties

Compound NameN-(5-acetamido-2-methoxyphenyl)-2-(azetidin-3-yl)propanamide
PubChem CID116675530
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC NameN-(5-acetamido-2-methoxyphenyl)-2-(azetidin-3-yl)propanamide
SMILESCOc1ccc(NC(C)=O)cc1NC(=O)C(C)C1CNC1
InChIInChI=1S/C15H21N3O3/c1-9(11-7-16-8-11)15(20)18-13-6-12(17-10(2)19)4-5-14(13)21-3/h4-6,9,11,16H,7-8H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyXYEHLFCPFMFPHH-UHFFFAOYSA-N
XLogP1.45
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-acetamido-2-fluorophenyl)-2-(azetidin-3-yl)propanamide
CID 116675124
N-(4-acetamidophenyl)-2-(azetidin-3-yl)propanamide
CID 116674626
N-(5-acetamido-2-methoxyphenyl)-2-aminopropanamide;hydrochloride
CID 119266368
N-(5-acetamido-2-methoxyphenyl)-3-amino-2-methylpropanamide
CID 62671021
N-[3-(cyclopropylcarbamoylamino)-4-methoxyphenyl]acetamide
CID 47127639
2-(azetidin-3-yl)-N-(2-fluoro-5-methoxyphenyl)propanamide
CID 116678455
(3S)-N-(5-acetamido-2-methoxyphenyl)piperidine-3-carboxamide
CID 81119809
(2R)-2-(5-acetamido-2-methoxyanilino)-N-(4-acetamidophenyl)propanamide
CID 9329057
N-(3-acetamido-4-methoxyphenyl)-2-amino-3-methylbutanamide
CID 119278958
2-(azetidin-3-yl)-N-[1-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 116677038
N-[3-(cyclohexylcarbamoylamino)-4-methoxyphenyl]acetamide
CID 4120812
N-(5-acetamido-2-methoxyphenyl)-4-hydroxypyrrolidine-2-carboxamide
CID 43707822

Frequently Asked Questions

What is the IUPAC name of N-(5-acetamido-2-methoxyphenyl)-2-(azetidin-3-yl)propanamide?
The IUPAC name of N-(5-acetamido-2-methoxyphenyl)-2-(azetidin-3-yl)propanamide (CID 116675530) is N-(5-acetamido-2-methoxyphenyl)-2-(azetidin-3-yl)propanamide.
What is the SMILES notation for N-(5-acetamido-2-methoxyphenyl)-2-(azetidin-3-yl)propanamide?
The canonical SMILES for N-(5-acetamido-2-methoxyphenyl)-2-(azetidin-3-yl)propanamide is COc1ccc(NC(C)=O)cc1NC(=O)C(C)C1CNC1.
What is the InChIKey of N-(5-acetamido-2-methoxyphenyl)-2-(azetidin-3-yl)propanamide?
The InChIKey is XYEHLFCPFMFPHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-9(11-7-16-8-11)15(20)18-13-6-12(17-10(2)19)4-5-14(13)21-3/h4-6,9,11,16H,7-8H2,1-3H3,(H,17,19)(H,18,20).
What are the key properties of N-(5-acetamido-2-methoxyphenyl)-2-(azetidin-3-yl)propanamide?
N-(5-acetamido-2-methoxyphenyl)-2-(azetidin-3-yl)propanamide has a molecular weight of 291.35 g/mol, XLogP of 1.45, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetamido-2-methoxyphenyl)-2-(azetidin-3-yl)propanamide is sourced from PubChem (CID 116675530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).