2-[methyl-[2-[[(1R)-3-methyl-1-phenylbutyl]amino]-2-oxoethyl]amino]acetamide

C16H25N3O2 — CID 94404650

IUPAC2-[methyl-[2-[[(1R)-3-methyl-1-phenylbutyl]amino]-2-oxoethyl]amino]acetamide
SMILESCC(C)C[C@@H](NC(=O)CN(C)CC(N)=O)c1ccccc1
InChIInChI=1S/C16H25N3O2/c1-12(2)9-14(13-7-5-4-6-8-13)18-16(21)11-19(3)10-15(17)20/h4-8,12,14H,9-11H2,1-3H3,(H2,17,20)(H,18,21)/t14-/m1/s1
InChIKeyYQWTZHAJPUCZKZ-CQSZACIVSA-N
MW291.40 g/mol
LogP1.31
Rot. Bonds8

About 2-[methyl-[2-[[(1R)-3-methyl-1-phenylbutyl]amino]-2-oxoethyl]amino]acetamide

2-[methyl-[2-[[(1R)-3-methyl-1-phenylbutyl]amino]-2-oxoethyl]amino]acetamide (PubChem CID 94404650) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is 2-[methyl-[2-[[(1R)-3-methyl-1-phenylbutyl]amino]-2-oxoethyl]amino]acetamide.

Molecular Properties

Compound Name2-[methyl-[2-[[(1R)-3-methyl-1-phenylbutyl]amino]-2-oxoethyl]amino]acetamide
PubChem CID94404650
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC Name2-[methyl-[2-[[(1R)-3-methyl-1-phenylbutyl]amino]-2-oxoethyl]amino]acetamide
SMILESCC(C)C[C@@H](NC(=O)CN(C)CC(N)=O)c1ccccc1
InChIInChI=1S/C16H25N3O2/c1-12(2)9-14(13-7-5-4-6-8-13)18-16(21)11-19(3)10-15(17)20/h4-8,12,14H,9-11H2,1-3H3,(H2,17,20)(H,18,21)/t14-/m1/s1
InChIKeyYQWTZHAJPUCZKZ-CQSZACIVSA-N
XLogP1.31
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl-[2-[[(1S)-3-methyl-1-phenylbutyl]amino]-2-oxoethyl]amino]-N-propan-2-ylacetamide
CID 8913845
2-[methyl-[2-[[(1S)-3-methyl-1-phenylbutyl]amino]-2-oxoethyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 8710584
4-hydroxy-N-(3-methyl-1-phenylbutyl)pentanamide
CID 79201139
N-[(1S)-3-methyl-1-phenylbutyl]-3,3-diphenylpropanamide
CID 38003610
2-methoxy-N-[(1S)-3-methyl-1-phenylbutyl]acetamide
CID 94870263
(2R)-2-amino-N-(3-methyl-1-phenylbutyl)propanamide
CID 78972266
2-[(3-methyl-1-phenylbutyl)amino]acetamide
CID 16774188
N-(3-methyl-1-phenylbutyl)benzamide
CID 46770250
7-amino-N-(3-methyl-1-phenylbutyl)heptanamide;hydrochloride
CID 119689313
4-amino-3-methoxy-N-(3-methyl-1-phenylbutyl)butanamide
CID 103154671
2-[methyl-[2-[1-[4-(2-methylpropyl)phenyl]ethylamino]-2-oxoethyl]amino]acetamide
CID 56814568
2-(2-methyl-N-methylsulfonylanilino)-N-[(1S)-3-methyl-1-phenylbutyl]acetamide
CID 28567894

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[2-[[(1R)-3-methyl-1-phenylbutyl]amino]-2-oxoethyl]amino]acetamide?
The IUPAC name of 2-[methyl-[2-[[(1R)-3-methyl-1-phenylbutyl]amino]-2-oxoethyl]amino]acetamide (CID 94404650) is 2-[methyl-[2-[[(1R)-3-methyl-1-phenylbutyl]amino]-2-oxoethyl]amino]acetamide.
What is the SMILES notation for 2-[methyl-[2-[[(1R)-3-methyl-1-phenylbutyl]amino]-2-oxoethyl]amino]acetamide?
The canonical SMILES for 2-[methyl-[2-[[(1R)-3-methyl-1-phenylbutyl]amino]-2-oxoethyl]amino]acetamide is CC(C)C[C@@H](NC(=O)CN(C)CC(N)=O)c1ccccc1.
What is the InChIKey of 2-[methyl-[2-[[(1R)-3-methyl-1-phenylbutyl]amino]-2-oxoethyl]amino]acetamide?
The InChIKey is YQWTZHAJPUCZKZ-CQSZACIVSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-12(2)9-14(13-7-5-4-6-8-13)18-16(21)11-19(3)10-15(17)20/h4-8,12,14H,9-11H2,1-3H3,(H2,17,20)(H,18,21)/t14-/m1/s1.
What are the key properties of 2-[methyl-[2-[[(1R)-3-methyl-1-phenylbutyl]amino]-2-oxoethyl]amino]acetamide?
2-[methyl-[2-[[(1R)-3-methyl-1-phenylbutyl]amino]-2-oxoethyl]amino]acetamide has a molecular weight of 291.40 g/mol, XLogP of 1.31, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[2-[[(1R)-3-methyl-1-phenylbutyl]amino]-2-oxoethyl]amino]acetamide is sourced from PubChem (CID 94404650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).