N-[3-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]phenyl]cyclopropanecarboxamide

C17H23N3O3 — CID 38325393

IUPACN-[3-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]phenyl]cyclopropanecarboxamide
SMILESCC(C)(C)C(=O)NCC(=O)Nc1cccc(NC(=O)C2CC2)c1
InChIInChI=1S/C17H23N3O3/c1-17(2,3)16(23)18-10-14(21)19-12-5-4-6-13(9-12)20-15(22)11-7-8-11/h4-6,9,11H,7-8,10H2,1-3H3,(H,18,23)(H,19,21)(H,20,22)
InChIKeyBQKJJPBHOYOJMM-UHFFFAOYSA-N
MW317.39 g/mol
LogP2.14
Rot. Bonds5

About N-[3-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]phenyl]cyclopropanecarboxamide

N-[3-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]phenyl]cyclopropanecarboxamide (PubChem CID 38325393) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is N-[3-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]phenyl]cyclopropanecarboxamide
PubChem CID38325393
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC NameN-[3-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]phenyl]cyclopropanecarboxamide
SMILESCC(C)(C)C(=O)NCC(=O)Nc1cccc(NC(=O)C2CC2)c1
InChIInChI=1S/C17H23N3O3/c1-17(2,3)16(23)18-10-14(21)19-12-5-4-6-13(9-12)20-15(22)11-7-8-11/h4-6,9,11H,7-8,10H2,1-3H3,(H,18,23)(H,19,21)(H,20,22)
InChIKeyBQKJJPBHOYOJMM-UHFFFAOYSA-N
XLogP2.14
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[3-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]phenyl]cyclopropanecarboxamide 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

N-[3-(2,2-dimethylpropanoylamino)phenyl]cyclopropanecarboxamide
CID 17204538
tert-butyl N-[2-[3-(cyclopropanecarbonylamino)anilino]-2-oxoethyl]carbamate
CID 108917170
N-[2-[3-(cyclopropanecarbonylamino)anilino]-2-oxoethyl]benzamide
CID 38325655
N-[3-(butanoylamino)phenyl]cyclopropanecarboxamide
CID 17187554
N-[3-[(2-aminoacetyl)amino]phenyl]cyclopropanecarboxamide
CID 61251263
N-[3-[[2-methyl-2-(methylamino)propanoyl]amino]phenyl]cyclopropanecarboxamide
CID 62848369
N-[2-[3-(cyclopropanecarbonylamino)anilino]-2-oxoethyl]thiophene-2-carboxamide
CID 38325683
N-[3-[[2-[[2-(3-fluorophenyl)acetyl]amino]acetyl]amino]phenyl]cyclopropanecarboxamide
CID 55828959
2,2-dimethyl-N-[2-(3-methylsulfonylanilino)-2-oxoethyl]propanamide
CID 134013213
N-[3-[(2-cyclohexylacetyl)amino]phenyl]cyclopropanecarboxamide
CID 46570451
N-[3-(propanoylamino)phenyl]piperidine-4-carboxamide
CID 54794417
N-[3-[3-(4-tert-butylphenyl)propanoylamino]phenyl]cyclopropanecarboxamide
CID 55573150

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[3-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]phenyl]cyclopropanecarboxamide (CID 38325393) is N-[3-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]phenyl]cyclopropanecarboxamide is CC(C)(C)C(=O)NCC(=O)Nc1cccc(NC(=O)C2CC2)c1.
What is the InChIKey of N-[3-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]phenyl]cyclopropanecarboxamide?
The InChIKey is BQKJJPBHOYOJMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-17(2,3)16(23)18-10-14(21)19-12-5-4-6-13(9-12)20-15(22)11-7-8-11/h4-6,9,11H,7-8,10H2,1-3H3,(H,18,23)(H,19,21)(H,20,22).
What are the key properties of N-[3-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]phenyl]cyclopropanecarboxamide?
N-[3-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]phenyl]cyclopropanecarboxamide has a molecular weight of 317.39 g/mol, XLogP of 2.14, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 38325393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).