(2S)-N-(3-methylbutyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-2-phenylbutanamide

C21H29N3O3 — CID 7225268

IUPAC(2S)-N-(3-methylbutyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-2-phenylbutanamide
SMILESCC[C@H](C(=O)N(CCC(C)C)CC(=O)Nc1cc(C)on1)c1ccccc1
InChIInChI=1S/C21H29N3O3/c1-5-18(17-9-7-6-8-10-17)21(26)24(12-11-15(2)3)14-20(25)22-19-13-16(4)27-23-19/h6-10,13,15,18H,5,11-12,14H2,1-4H3,(H,22,23,25)/t18-/m0/s1
InChIKeyWHALNQSZGZYPDM-SFHVURJKSA-N
MW371.48 g/mol
LogP3.99
Rot. Bonds9

About (2S)-N-(3-methylbutyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-2-phenylbutanamide

(2S)-N-(3-methylbutyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-2-phenylbutanamide (PubChem CID 7225268) has the molecular formula C21H29N3O3 and a molecular weight of 371.48 g/mol. Its IUPAC name is (2S)-N-(3-methylbutyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-2-phenylbutanamide.

Molecular Properties

Compound Name(2S)-N-(3-methylbutyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-2-phenylbutanamide
PubChem CID7225268
Molecular FormulaC21H29N3O3
Molecular Weight371.48 g/mol
Exact Mass371.22
IUPAC Name(2S)-N-(3-methylbutyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-2-phenylbutanamide
SMILESCC[C@H](C(=O)N(CCC(C)C)CC(=O)Nc1cc(C)on1)c1ccccc1
InChIInChI=1S/C21H29N3O3/c1-5-18(17-9-7-6-8-10-17)21(26)24(12-11-15(2)3)14-20(25)22-19-13-16(4)27-23-19/h6-10,13,15,18H,5,11-12,14H2,1-4H3,(H,22,23,25)/t18-/m0/s1
InChIKeyWHALNQSZGZYPDM-SFHVURJKSA-N
XLogP3.99
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-N-(3-methylbutyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-2-phenylbutanamide 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

(2S)-N-butyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-2-phenylbutanamide
CID 7413286
2-chloro-N-(3-methylbutyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]propanamide
CID 4167041
2-[3-methylbutyl-(2-phenylmethoxyacetyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 42768973
4-chloro-N-(3-methylbutyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide
CID 4179187
2-[benzenesulfonyl(3-methylbutyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 42769393
2-[3-methylbutyl-[[2-(trifluoromethyl)phenyl]carbamoyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 42769264
N-butyl-2-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]propanamide
CID 24715040
N-(5-methyl-1,2-oxazol-3-yl)-2-[methylsulfonyl(1-phenylethyl)amino]acetamide
CID 113150936
3-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(2-methylpropyl)butanamide
CID 42768880
2-[acetyl(2-methylpropyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 813520
N-(2-methoxyethyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-2-phenylbutanamide
CID 42769157
N-(3-methylbutyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-4-(trifluoromethyl)benzamide
CID 42768974

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-methylbutyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-2-phenylbutanamide?
The IUPAC name of (2S)-N-(3-methylbutyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-2-phenylbutanamide (CID 7225268) is (2S)-N-(3-methylbutyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-2-phenylbutanamide.
What is the SMILES notation for (2S)-N-(3-methylbutyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-2-phenylbutanamide?
The canonical SMILES for (2S)-N-(3-methylbutyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-2-phenylbutanamide is CC[C@H](C(=O)N(CCC(C)C)CC(=O)Nc1cc(C)on1)c1ccccc1.
What is the InChIKey of (2S)-N-(3-methylbutyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-2-phenylbutanamide?
The InChIKey is WHALNQSZGZYPDM-SFHVURJKSA-N. The full InChI is InChI=1S/C21H29N3O3/c1-5-18(17-9-7-6-8-10-17)21(26)24(12-11-15(2)3)14-20(25)22-19-13-16(4)27-23-19/h6-10,13,15,18H,5,11-12,14H2,1-4H3,(H,22,23,25)/t18-/m0/s1.
What are the key properties of (2S)-N-(3-methylbutyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-2-phenylbutanamide?
(2S)-N-(3-methylbutyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-2-phenylbutanamide has a molecular weight of 371.48 g/mol, XLogP of 3.99, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-methylbutyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-2-phenylbutanamide is sourced from PubChem (CID 7225268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).