2-[methyl-[2-[[(1S)-3-methyl-1-phenylbutyl]amino]-2-oxoethyl]amino]-N-propan-2-ylacetamide

C19H31N3O2 — CID 8913845

IUPAC2-[methyl-[2-[[(1S)-3-methyl-1-phenylbutyl]amino]-2-oxoethyl]amino]-N-propan-2-ylacetamide
SMILESCC(C)C[C@H](NC(=O)CN(C)CC(=O)NC(C)C)c1ccccc1
InChIInChI=1S/C19H31N3O2/c1-14(2)11-17(16-9-7-6-8-10-16)21-19(24)13-22(5)12-18(23)20-15(3)4/h6-10,14-15,17H,11-13H2,1-5H3,(H,20,23)(H,21,24)/t17-/m0/s1
InChIKeyBAPHWUQPVQCXIW-KRWDZBQOSA-N
MW333.48 g/mol
LogP2.35
Rot. Bonds9

About 2-[methyl-[2-[[(1S)-3-methyl-1-phenylbutyl]amino]-2-oxoethyl]amino]-N-propan-2-ylacetamide

2-[methyl-[2-[[(1S)-3-methyl-1-phenylbutyl]amino]-2-oxoethyl]amino]-N-propan-2-ylacetamide (PubChem CID 8913845) has the molecular formula C19H31N3O2 and a molecular weight of 333.48 g/mol. Its IUPAC name is 2-[methyl-[2-[[(1S)-3-methyl-1-phenylbutyl]amino]-2-oxoethyl]amino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[methyl-[2-[[(1S)-3-methyl-1-phenylbutyl]amino]-2-oxoethyl]amino]-N-propan-2-ylacetamide
PubChem CID8913845
Molecular FormulaC19H31N3O2
Molecular Weight333.48 g/mol
Exact Mass333.24
IUPAC Name2-[methyl-[2-[[(1S)-3-methyl-1-phenylbutyl]amino]-2-oxoethyl]amino]-N-propan-2-ylacetamide
SMILESCC(C)C[C@H](NC(=O)CN(C)CC(=O)NC(C)C)c1ccccc1
InChIInChI=1S/C19H31N3O2/c1-14(2)11-17(16-9-7-6-8-10-16)21-19(24)13-22(5)12-18(23)20-15(3)4/h6-10,14-15,17H,11-13H2,1-5H3,(H,20,23)(H,21,24)/t17-/m0/s1
InChIKeyBAPHWUQPVQCXIW-KRWDZBQOSA-N
XLogP2.35
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl-[2-[[(1R)-3-methyl-1-phenylbutyl]amino]-2-oxoethyl]amino]acetamide
CID 94404650
2-[methyl-[2-[[(1S)-3-methyl-1-phenylbutyl]amino]-2-oxoethyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 8710584
N-[(1S)-3-methyl-1-phenylbutyl]-3,3-diphenylpropanamide
CID 38003610
2-methoxy-N-[(1S)-3-methyl-1-phenylbutyl]acetamide
CID 94870263
4-hydroxy-N-(3-methyl-1-phenylbutyl)pentanamide
CID 79201139
2-[benzyl(methyl)amino]-N-propan-2-ylacetamide
CID 54808895
N-(3-methyl-1-phenylbutyl)benzamide
CID 46770250
2-(2-methyl-N-methylsulfonylanilino)-N-[(1S)-3-methyl-1-phenylbutyl]acetamide
CID 28567894
5-bromo-N-(3-methyl-1-phenylbutyl)pentanamide
CID 107908811
2-(4-fluorophenyl)-N-[(1R)-3-methyl-1-phenylbutyl]acetamide
CID 92738396
2-(4-chlorophenyl)-N-[(1S)-3-methyl-1-phenylbutyl]acetamide
CID 28567050
(2R)-2-amino-N-(3-methyl-1-phenylbutyl)propanamide
CID 78972266

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[2-[[(1S)-3-methyl-1-phenylbutyl]amino]-2-oxoethyl]amino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[methyl-[2-[[(1S)-3-methyl-1-phenylbutyl]amino]-2-oxoethyl]amino]-N-propan-2-ylacetamide (CID 8913845) is 2-[methyl-[2-[[(1S)-3-methyl-1-phenylbutyl]amino]-2-oxoethyl]amino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[methyl-[2-[[(1S)-3-methyl-1-phenylbutyl]amino]-2-oxoethyl]amino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[methyl-[2-[[(1S)-3-methyl-1-phenylbutyl]amino]-2-oxoethyl]amino]-N-propan-2-ylacetamide is CC(C)C[C@H](NC(=O)CN(C)CC(=O)NC(C)C)c1ccccc1.
What is the InChIKey of 2-[methyl-[2-[[(1S)-3-methyl-1-phenylbutyl]amino]-2-oxoethyl]amino]-N-propan-2-ylacetamide?
The InChIKey is BAPHWUQPVQCXIW-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H31N3O2/c1-14(2)11-17(16-9-7-6-8-10-16)21-19(24)13-22(5)12-18(23)20-15(3)4/h6-10,14-15,17H,11-13H2,1-5H3,(H,20,23)(H,21,24)/t17-/m0/s1.
What are the key properties of 2-[methyl-[2-[[(1S)-3-methyl-1-phenylbutyl]amino]-2-oxoethyl]amino]-N-propan-2-ylacetamide?
2-[methyl-[2-[[(1S)-3-methyl-1-phenylbutyl]amino]-2-oxoethyl]amino]-N-propan-2-ylacetamide has a molecular weight of 333.48 g/mol, XLogP of 2.35, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[2-[[(1S)-3-methyl-1-phenylbutyl]amino]-2-oxoethyl]amino]-N-propan-2-ylacetamide is sourced from PubChem (CID 8913845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).