2-ethyl-2-[[(4-propan-2-ylbenzoyl)amino]methyl]butanoic acid

C17H25NO3 — CID 115429720

IUPAC2-ethyl-2-[[(4-propan-2-ylbenzoyl)amino]methyl]butanoic acid
SMILESCCC(CC)(CNC(=O)c1ccc(C(C)C)cc1)C(=O)O
InChIInChI=1S/C17H25NO3/c1-5-17(6-2,16(20)21)11-18-15(19)14-9-7-13(8-10-14)12(3)4/h7-10,12H,5-6,11H2,1-4H3,(H,18,19)(H,20,21)
InChIKeyQEVYMTYPTUTNNJ-UHFFFAOYSA-N
MW291.39 g/mol
LogP3.43
Rot. Bonds7

About 2-ethyl-2-[[(4-propan-2-ylbenzoyl)amino]methyl]butanoic acid

2-ethyl-2-[[(4-propan-2-ylbenzoyl)amino]methyl]butanoic acid (PubChem CID 115429720) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is 2-ethyl-2-[[(4-propan-2-ylbenzoyl)amino]methyl]butanoic acid.

Molecular Properties

Compound Name2-ethyl-2-[[(4-propan-2-ylbenzoyl)amino]methyl]butanoic acid
PubChem CID115429720
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name2-ethyl-2-[[(4-propan-2-ylbenzoyl)amino]methyl]butanoic acid
SMILESCCC(CC)(CNC(=O)c1ccc(C(C)C)cc1)C(=O)O
InChIInChI=1S/C17H25NO3/c1-5-17(6-2,16(20)21)11-18-15(19)14-9-7-13(8-10-14)12(3)4/h7-10,12H,5-6,11H2,1-4H3,(H,18,19)(H,20,21)
InChIKeyQEVYMTYPTUTNNJ-UHFFFAOYSA-N
XLogP3.43
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[[4-(aminomethyl)benzoyl]amino]methyl]-2-ethylbutanoic acid
CID 115430415
2-ethyl-2-[[[4-(methoxymethyl)benzoyl]amino]methyl]butanoic acid
CID 115429725
N-(2,2-dimethylpropyl)-4-propan-2-ylbenzamide;molecular hydrogen
CID 169133122
N-(2-amino-2-methylpropyl)-4-propan-2-ylbenzamide;hydrochloride
CID 119630213
2-ethyl-2-[[(4-propan-2-ylphenyl)methylamino]methyl]butanoic acid
CID 122129128
N-(3-amino-2,2-dimethylpropyl)-4-propan-2-ylbenzamide
CID 115365755
methyl 2-[(4-propan-2-ylbenzoyl)amino]acetate
CID 43404732
2-ethyl-2-[[[4-(3,3,3-trifluoropropyl)benzoyl]amino]methyl]butanoic acid
CID 120533411
2-[[(3-amino-4-methylbenzoyl)amino]methyl]-2-ethylbutanoic acid
CID 115430375
2-methyl-4-[(4-propan-2-ylbenzoyl)amino]butanoic acid
CID 80539325
2-[(2,3-dihydro-1H-isoindole-5-carbonylamino)methyl]-2-ethylbutanoic acid
CID 103999277
2-ethyl-2-[[[4-(1,2,4-oxadiazol-3-yl)benzoyl]amino]methyl]butanoic acid
CID 120533257

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[[(4-propan-2-ylbenzoyl)amino]methyl]butanoic acid?
The IUPAC name of 2-ethyl-2-[[(4-propan-2-ylbenzoyl)amino]methyl]butanoic acid (CID 115429720) is 2-ethyl-2-[[(4-propan-2-ylbenzoyl)amino]methyl]butanoic acid.
What is the SMILES notation for 2-ethyl-2-[[(4-propan-2-ylbenzoyl)amino]methyl]butanoic acid?
The canonical SMILES for 2-ethyl-2-[[(4-propan-2-ylbenzoyl)amino]methyl]butanoic acid is CCC(CC)(CNC(=O)c1ccc(C(C)C)cc1)C(=O)O.
What is the InChIKey of 2-ethyl-2-[[(4-propan-2-ylbenzoyl)amino]methyl]butanoic acid?
The InChIKey is QEVYMTYPTUTNNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-5-17(6-2,16(20)21)11-18-15(19)14-9-7-13(8-10-14)12(3)4/h7-10,12H,5-6,11H2,1-4H3,(H,18,19)(H,20,21).
What are the key properties of 2-ethyl-2-[[(4-propan-2-ylbenzoyl)amino]methyl]butanoic acid?
2-ethyl-2-[[(4-propan-2-ylbenzoyl)amino]methyl]butanoic acid has a molecular weight of 291.39 g/mol, XLogP of 3.43, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[[(4-propan-2-ylbenzoyl)amino]methyl]butanoic acid is sourced from PubChem (CID 115429720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).