2-[[(1S)-2-methyl-1-phenylpropyl]amino]-N-(2-methylpropylcarbamoyl)acetamide

C17H27N3O2 — CID 9132325

IUPAC2-[[(1S)-2-methyl-1-phenylpropyl]amino]-N-(2-methylpropylcarbamoyl)acetamide
SMILESCC(C)CNC(=O)NC(=O)CN[C@H](c1ccccc1)C(C)C
InChIInChI=1S/C17H27N3O2/c1-12(2)10-19-17(22)20-15(21)11-18-16(13(3)4)14-8-6-5-7-9-14/h5-9,12-13,16,18H,10-11H2,1-4H3,(H2,19,20,21,22)/t16-/m0/s1
InChIKeyHUSMUDQPWPPRNE-INIZCTEOSA-N
MW305.42 g/mol
LogP2.46
Rot. Bonds7

About 2-[[(1S)-2-methyl-1-phenylpropyl]amino]-N-(2-methylpropylcarbamoyl)acetamide

2-[[(1S)-2-methyl-1-phenylpropyl]amino]-N-(2-methylpropylcarbamoyl)acetamide (PubChem CID 9132325) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is 2-[[(1S)-2-methyl-1-phenylpropyl]amino]-N-(2-methylpropylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[[(1S)-2-methyl-1-phenylpropyl]amino]-N-(2-methylpropylcarbamoyl)acetamide
PubChem CID9132325
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name2-[[(1S)-2-methyl-1-phenylpropyl]amino]-N-(2-methylpropylcarbamoyl)acetamide
SMILESCC(C)CNC(=O)NC(=O)CN[C@H](c1ccccc1)C(C)C
InChIInChI=1S/C17H27N3O2/c1-12(2)10-19-17(22)20-15(21)11-18-16(13(3)4)14-8-6-5-7-9-14/h5-9,12-13,16,18H,10-11H2,1-4H3,(H2,19,20,21,22)/t16-/m0/s1
InChIKeyHUSMUDQPWPPRNE-INIZCTEOSA-N
XLogP2.46
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(ethylcarbamoyl)-2-[[(1R)-2-methyl-1-phenylpropyl]amino]acetamide
CID 9132089
2-[[(R)-furan-2-yl(phenyl)methyl]amino]-N-(2-methylpropylcarbamoyl)acetamide
CID 8755412
2-[[(1R)-2-methyl-1-phenylpropyl]amino]-N-[(1R)-1-phenylethyl]acetamide
CID 9131711
N-(cyclopentylcarbamoyl)-2-[[(1S)-2-methyl-1-phenylpropyl]amino]acetamide
CID 9132078
(1R)-2-methyl-N-(2-methylpropyl)-1-phenylpropan-1-amine
CID 93027510
2-[[(1S)-1-[4-[(2R)-butan-2-yl]phenyl]-2-methylpropyl]amino]-N-(ethylcarbamoyl)acetamide
CID 8834223
N'-acetyl-2-[[(1R)-2-methyl-1-phenylpropyl]amino]acetohydrazide
CID 9132759
2-[[(1S)-1-(4-tert-butylphenyl)-2-methylpropyl]amino]-N-(ethylcarbamoyl)acetamide
CID 9129547
2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]-N-[(1R)-1-phenylethyl]acetamide
CID 9133439
N-(4-acetamidophenyl)-2-[[(1S)-2-methyl-1-phenylpropyl]amino]acetamide
CID 9131833
2-[(2-methyl-1-phenylpropyl)amino]-N-(1-thiophen-2-ylethyl)acetamide
CID 86909139
N-[(4-methoxyphenyl)methyl]-2-[[(1R)-2-methyl-1-phenylpropyl]amino]acetamide
CID 9131857

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S)-2-methyl-1-phenylpropyl]amino]-N-(2-methylpropylcarbamoyl)acetamide?
The IUPAC name of 2-[[(1S)-2-methyl-1-phenylpropyl]amino]-N-(2-methylpropylcarbamoyl)acetamide (CID 9132325) is 2-[[(1S)-2-methyl-1-phenylpropyl]amino]-N-(2-methylpropylcarbamoyl)acetamide.
What is the SMILES notation for 2-[[(1S)-2-methyl-1-phenylpropyl]amino]-N-(2-methylpropylcarbamoyl)acetamide?
The canonical SMILES for 2-[[(1S)-2-methyl-1-phenylpropyl]amino]-N-(2-methylpropylcarbamoyl)acetamide is CC(C)CNC(=O)NC(=O)CN[C@H](c1ccccc1)C(C)C.
What is the InChIKey of 2-[[(1S)-2-methyl-1-phenylpropyl]amino]-N-(2-methylpropylcarbamoyl)acetamide?
The InChIKey is HUSMUDQPWPPRNE-INIZCTEOSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-12(2)10-19-17(22)20-15(21)11-18-16(13(3)4)14-8-6-5-7-9-14/h5-9,12-13,16,18H,10-11H2,1-4H3,(H2,19,20,21,22)/t16-/m0/s1.
What are the key properties of 2-[[(1S)-2-methyl-1-phenylpropyl]amino]-N-(2-methylpropylcarbamoyl)acetamide?
2-[[(1S)-2-methyl-1-phenylpropyl]amino]-N-(2-methylpropylcarbamoyl)acetamide has a molecular weight of 305.42 g/mol, XLogP of 2.46, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S)-2-methyl-1-phenylpropyl]amino]-N-(2-methylpropylcarbamoyl)acetamide is sourced from PubChem (CID 9132325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).