2-methyl-N-[2-oxo-2-[(2-propan-2-yl-1,3-benzoxazol-5-yl)amino]ethyl]benzamide

C20H21N3O3 — CID 46416362

IUPAC2-methyl-N-[2-oxo-2-[(2-propan-2-yl-1,3-benzoxazol-5-yl)amino]ethyl]benzamide
SMILESCc1ccccc1C(=O)NCC(=O)Nc1ccc2oc(C(C)C)nc2c1
InChIInChI=1S/C20H21N3O3/c1-12(2)20-23-16-10-14(8-9-17(16)26-20)22-18(24)11-21-19(25)15-7-5-4-6-13(15)3/h4-10,12H,11H2,1-3H3,(H,21,25)(H,22,24)
InChIKeySFCSPXZLQQGZPZ-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.63
Rot. Bonds5

About 2-methyl-N-[2-oxo-2-[(2-propan-2-yl-1,3-benzoxazol-5-yl)amino]ethyl]benzamide

2-methyl-N-[2-oxo-2-[(2-propan-2-yl-1,3-benzoxazol-5-yl)amino]ethyl]benzamide (PubChem CID 46416362) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is 2-methyl-N-[2-oxo-2-[(2-propan-2-yl-1,3-benzoxazol-5-yl)amino]ethyl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[2-oxo-2-[(2-propan-2-yl-1,3-benzoxazol-5-yl)amino]ethyl]benzamide
PubChem CID46416362
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name2-methyl-N-[2-oxo-2-[(2-propan-2-yl-1,3-benzoxazol-5-yl)amino]ethyl]benzamide
SMILESCc1ccccc1C(=O)NCC(=O)Nc1ccc2oc(C(C)C)nc2c1
InChIInChI=1S/C20H21N3O3/c1-12(2)20-23-16-10-14(8-9-17(16)26-20)22-18(24)11-21-19(25)15-7-5-4-6-13(15)3/h4-10,12H,11H2,1-3H3,(H,21,25)(H,22,24)
InChIKeySFCSPXZLQQGZPZ-UHFFFAOYSA-N
XLogP3.63
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-methyl-N-[2-oxo-2-[(2-propan-2-yl-1,3-benzoxazol-5-yl)amino]ethyl]benzamide 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-(propan-2-ylamino)-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)acetamide
CID 60843076
2-methoxy-N-[3-oxo-3-[(2-propan-2-yl-1,3-benzoxazol-5-yl)amino]propyl]benzamide
CID 46401809
2-ethoxy-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)benzamide
CID 46401841
5-bromo-3-methyl-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)furan-2-carboxamide
CID 60509237
N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2-methylbenzamide
CID 17395084
3-acetamido-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)benzamide
CID 46401870
N-(2-propan-2-yl-1,3-benzoxazol-5-yl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 46416382
N-[4-[2-oxo-2-[(2-propan-2-yl-1,3-benzoxazol-5-yl)amino]ethyl]-1,3-thiazol-2-yl]benzamide
CID 55620257
3-amino-4-oxo-4-[(2-propan-2-yl-1,3-benzoxazol-5-yl)amino]butanoic acid
CID 64895304
N-[2-(3,5-dimethylphenyl)-1,3-benzoxazol-5-yl]-2-methylbenzamide
CID 17101713
2-methyl-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)benzamide
CID 699256
(2S,3S)-2-amino-3-methyl-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)pentanamide
CID 61179344

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-oxo-2-[(2-propan-2-yl-1,3-benzoxazol-5-yl)amino]ethyl]benzamide?
The IUPAC name of 2-methyl-N-[2-oxo-2-[(2-propan-2-yl-1,3-benzoxazol-5-yl)amino]ethyl]benzamide (CID 46416362) is 2-methyl-N-[2-oxo-2-[(2-propan-2-yl-1,3-benzoxazol-5-yl)amino]ethyl]benzamide.
What is the SMILES notation for 2-methyl-N-[2-oxo-2-[(2-propan-2-yl-1,3-benzoxazol-5-yl)amino]ethyl]benzamide?
The canonical SMILES for 2-methyl-N-[2-oxo-2-[(2-propan-2-yl-1,3-benzoxazol-5-yl)amino]ethyl]benzamide is Cc1ccccc1C(=O)NCC(=O)Nc1ccc2oc(C(C)C)nc2c1.
What is the InChIKey of 2-methyl-N-[2-oxo-2-[(2-propan-2-yl-1,3-benzoxazol-5-yl)amino]ethyl]benzamide?
The InChIKey is SFCSPXZLQQGZPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-12(2)20-23-16-10-14(8-9-17(16)26-20)22-18(24)11-21-19(25)15-7-5-4-6-13(15)3/h4-10,12H,11H2,1-3H3,(H,21,25)(H,22,24).
What are the key properties of 2-methyl-N-[2-oxo-2-[(2-propan-2-yl-1,3-benzoxazol-5-yl)amino]ethyl]benzamide?
2-methyl-N-[2-oxo-2-[(2-propan-2-yl-1,3-benzoxazol-5-yl)amino]ethyl]benzamide has a molecular weight of 351.41 g/mol, XLogP of 3.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-oxo-2-[(2-propan-2-yl-1,3-benzoxazol-5-yl)amino]ethyl]benzamide is sourced from PubChem (CID 46416362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).