N-cyclopropyl-1-[2-(3-methylanilino)-2-oxoethyl]azetidine-3-carboxamide

C16H21N3O2 — CID 171327777

IUPACN-cyclopropyl-1-[2-(3-methylanilino)-2-oxoethyl]azetidine-3-carboxamide
SMILESCc1cccc(NC(=O)CN2CC(C(=O)NC3CC3)C2)c1
InChIInChI=1S/C16H21N3O2/c1-11-3-2-4-14(7-11)17-15(20)10-19-8-12(9-19)16(21)18-13-5-6-13/h2-4,7,12-13H,5-6,8-10H2,1H3,(H,17,20)(H,18,21)
InChIKeyMDCVDJIBANSGGI-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.14
Rot. Bonds5

About N-cyclopropyl-1-[2-(3-methylanilino)-2-oxoethyl]azetidine-3-carboxamide

N-cyclopropyl-1-[2-(3-methylanilino)-2-oxoethyl]azetidine-3-carboxamide (PubChem CID 171327777) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-cyclopropyl-1-[2-(3-methylanilino)-2-oxoethyl]azetidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-[2-(3-methylanilino)-2-oxoethyl]azetidine-3-carboxamide
PubChem CID171327777
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN-cyclopropyl-1-[2-(3-methylanilino)-2-oxoethyl]azetidine-3-carboxamide
SMILESCc1cccc(NC(=O)CN2CC(C(=O)NC3CC3)C2)c1
InChIInChI=1S/C16H21N3O2/c1-11-3-2-4-14(7-11)17-15(20)10-19-8-12(9-19)16(21)18-13-5-6-13/h2-4,7,12-13H,5-6,8-10H2,1H3,(H,17,20)(H,18,21)
InChIKeyMDCVDJIBANSGGI-UHFFFAOYSA-N
XLogP1.14
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-cyclopropyl-1-[2-(3-methylanilino)-2-oxoethyl]azetidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-(3-methylphenyl)acetamide
CID 155981782
2-(3,5-dimethylpiperidin-1-yl)-N-(3-methylphenyl)acetamide
CID 22198013
2-(azocan-1-yl)-N-(3-methylphenyl)acetamide
CID 2655272
2-[(3R)-3-hydroxypiperidin-1-yl]-N-(3-methylphenyl)acetamide
CID 129367068
N-cyclopropyl-1-[2-(3,4-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 16909883
1-N-cyclohexyl-4-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109146142
1-cyclopropyl-3-(3-methylphenyl)urea
CID 841579
N-(3-methylphenyl)-2-(3-piperazin-1-ylazetidin-1-yl)acetamide
CID 66197537
2-[3-(methanesulfonamido)piperidin-1-yl]-N-(3-methylphenyl)acetamide
CID 86982166
2-[3-(4,4-difluoropiperidine-1-carbonyl)pyrrolidin-1-yl]-N-(3-methylphenyl)acetamide
CID 165434132
N-cyclopentyl-1-[2-(3,5-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 16909326
2-[4-(methylaminomethyl)piperidin-1-yl]-N-(3-methylphenyl)acetamide
CID 63248780

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-[2-(3-methylanilino)-2-oxoethyl]azetidine-3-carboxamide?
The IUPAC name of N-cyclopropyl-1-[2-(3-methylanilino)-2-oxoethyl]azetidine-3-carboxamide (CID 171327777) is N-cyclopropyl-1-[2-(3-methylanilino)-2-oxoethyl]azetidine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-[2-(3-methylanilino)-2-oxoethyl]azetidine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-1-[2-(3-methylanilino)-2-oxoethyl]azetidine-3-carboxamide is Cc1cccc(NC(=O)CN2CC(C(=O)NC3CC3)C2)c1.
What is the InChIKey of N-cyclopropyl-1-[2-(3-methylanilino)-2-oxoethyl]azetidine-3-carboxamide?
The InChIKey is MDCVDJIBANSGGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-11-3-2-4-14(7-11)17-15(20)10-19-8-12(9-19)16(21)18-13-5-6-13/h2-4,7,12-13H,5-6,8-10H2,1H3,(H,17,20)(H,18,21).
What are the key properties of N-cyclopropyl-1-[2-(3-methylanilino)-2-oxoethyl]azetidine-3-carboxamide?
N-cyclopropyl-1-[2-(3-methylanilino)-2-oxoethyl]azetidine-3-carboxamide has a molecular weight of 287.36 g/mol, XLogP of 1.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-[2-(3-methylanilino)-2-oxoethyl]azetidine-3-carboxamide is sourced from PubChem (CID 171327777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).