2-[acetyl-[butan-2-yl(2-phenylethyl)carbamoyl]amino]-2-methylpropanoic acid

C19H28N2O4 — CID 134570025

IUPAC2-[acetyl-[butan-2-yl(2-phenylethyl)carbamoyl]amino]-2-methylpropanoic acid
SMILESCCC(C)N(CCc1ccccc1)C(=O)N(C(C)=O)C(C)(C)C(=O)O
InChIInChI=1S/C19H28N2O4/c1-6-14(2)20(13-12-16-10-8-7-9-11-16)18(25)21(15(3)22)19(4,5)17(23)24/h7-11,14H,6,12-13H2,1-5H3,(H,23,24)
InChIKeyNZGLIENZDOXXIL-UHFFFAOYSA-N
MW348.44 g/mol
LogP3.16
Rot. Bonds7

About 2-[acetyl-[butan-2-yl(2-phenylethyl)carbamoyl]amino]-2-methylpropanoic acid

2-[acetyl-[butan-2-yl(2-phenylethyl)carbamoyl]amino]-2-methylpropanoic acid (PubChem CID 134570025) has the molecular formula C19H28N2O4 and a molecular weight of 348.44 g/mol. Its IUPAC name is 2-[acetyl-[butan-2-yl(2-phenylethyl)carbamoyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[acetyl-[butan-2-yl(2-phenylethyl)carbamoyl]amino]-2-methylpropanoic acid
PubChem CID134570025
Molecular FormulaC19H28N2O4
Molecular Weight348.44 g/mol
Exact Mass348.20
IUPAC Name2-[acetyl-[butan-2-yl(2-phenylethyl)carbamoyl]amino]-2-methylpropanoic acid
SMILESCCC(C)N(CCc1ccccc1)C(=O)N(C(C)=O)C(C)(C)C(=O)O
InChIInChI=1S/C19H28N2O4/c1-6-14(2)20(13-12-16-10-8-7-9-11-16)18(25)21(15(3)22)19(4,5)17(23)24/h7-11,14H,6,12-13H2,1-5H3,(H,23,24)
InChIKeyNZGLIENZDOXXIL-UHFFFAOYSA-N
XLogP3.16
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[ethyl(4-phenylbutan-2-yl)amino]-2-methylpropanoic acid
CID 65061373
benzyl(butan-2-yl)carbamic acid
CID 18954164
2-[acetyl(propan-2-yl)amino]-2-methyl-4-phenylbutanoic acid
CID 63703801
2-[butan-2-yl(methyl)amino]-2-methyl-3-phenylpropanoic acid
CID 114992824
2-[acetyl-[(2S)-butan-2-yl]amino]-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide
CID 7416543
N-ethyl-2-methyl-N-(2-phenylethyl)butanamide
CID 78853488
2-[acetyl(butan-2-yl)amino]-N-benzylacetamide
CID 113159031
2-[acetyl(butan-2-yl)amino]-N-benzyl-N-propan-2-ylacetamide
CID 113159086
2-[[(2R)-2-amino-3-phenylpropanoyl]-butan-2-ylamino]acetic acid
CID 78985735
N-acetyl-N-[2-benzyl-3-(diacetylamino)propyl]acetamide
CID 10544561
2-methyl-3-oxo-2-(2-phenylethyl)butanoic acid
CID 174626222
(2R)-2-amino-N-butan-2-yl-N-(2-methoxyethyl)-3-phenylpropanamide
CID 78985515

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl-[butan-2-yl(2-phenylethyl)carbamoyl]amino]-2-methylpropanoic acid?
The IUPAC name of 2-[acetyl-[butan-2-yl(2-phenylethyl)carbamoyl]amino]-2-methylpropanoic acid (CID 134570025) is 2-[acetyl-[butan-2-yl(2-phenylethyl)carbamoyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[acetyl-[butan-2-yl(2-phenylethyl)carbamoyl]amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[acetyl-[butan-2-yl(2-phenylethyl)carbamoyl]amino]-2-methylpropanoic acid is CCC(C)N(CCc1ccccc1)C(=O)N(C(C)=O)C(C)(C)C(=O)O.
What is the InChIKey of 2-[acetyl-[butan-2-yl(2-phenylethyl)carbamoyl]amino]-2-methylpropanoic acid?
The InChIKey is NZGLIENZDOXXIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O4/c1-6-14(2)20(13-12-16-10-8-7-9-11-16)18(25)21(15(3)22)19(4,5)17(23)24/h7-11,14H,6,12-13H2,1-5H3,(H,23,24).
What are the key properties of 2-[acetyl-[butan-2-yl(2-phenylethyl)carbamoyl]amino]-2-methylpropanoic acid?
2-[acetyl-[butan-2-yl(2-phenylethyl)carbamoyl]amino]-2-methylpropanoic acid has a molecular weight of 348.44 g/mol, XLogP of 3.16, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl-[butan-2-yl(2-phenylethyl)carbamoyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 134570025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).