4-methyl-2-[[[4-(propan-2-ylcarbamoyl)benzoyl]amino]methyl]pentanoic acid

C18H26N2O4 — CID 120528496

IUPAC4-methyl-2-[[[4-(propan-2-ylcarbamoyl)benzoyl]amino]methyl]pentanoic acid
SMILESCC(C)CC(CNC(=O)c1ccc(C(=O)NC(C)C)cc1)C(=O)O
InChIInChI=1S/C18H26N2O4/c1-11(2)9-15(18(23)24)10-19-16(21)13-5-7-14(8-6-13)17(22)20-12(3)4/h5-8,11-12,15H,9-10H2,1-4H3,(H,19,21)(H,20,22)(H,23,24)
InChIKeyMEEOFGLNPNIMKF-UHFFFAOYSA-N
MW334.42 g/mol
LogP2.30
Rot. Bonds8

About 4-methyl-2-[[[4-(propan-2-ylcarbamoyl)benzoyl]amino]methyl]pentanoic acid

4-methyl-2-[[[4-(propan-2-ylcarbamoyl)benzoyl]amino]methyl]pentanoic acid (PubChem CID 120528496) has the molecular formula C18H26N2O4 and a molecular weight of 334.42 g/mol. Its IUPAC name is 4-methyl-2-[[[4-(propan-2-ylcarbamoyl)benzoyl]amino]methyl]pentanoic acid.

Molecular Properties

Compound Name4-methyl-2-[[[4-(propan-2-ylcarbamoyl)benzoyl]amino]methyl]pentanoic acid
PubChem CID120528496
Molecular FormulaC18H26N2O4
Molecular Weight334.42 g/mol
Exact Mass334.19
IUPAC Name4-methyl-2-[[[4-(propan-2-ylcarbamoyl)benzoyl]amino]methyl]pentanoic acid
SMILESCC(C)CC(CNC(=O)c1ccc(C(=O)NC(C)C)cc1)C(=O)O
InChIInChI=1S/C18H26N2O4/c1-11(2)9-15(18(23)24)10-19-16(21)13-5-7-14(8-6-13)17(22)20-12(3)4/h5-8,11-12,15H,9-10H2,1-4H3,(H,19,21)(H,20,22)(H,23,24)
InChIKeyMEEOFGLNPNIMKF-UHFFFAOYSA-N
XLogP2.30
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-methyl-2-[[[4-(propan-2-ylcarbamoyl)benzoyl]amino]methyl]pentanoic acid with MolForge

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Related Compounds

4-methyl-2-[[[4-(trifluoromethyl)benzoyl]amino]methyl]pentanoic acid
CID 119252785
2-phenyl-3-[[4-(propan-2-ylcarbamoyl)benzoyl]amino]propanoic acid
CID 120528817
2-[[[2-[(4-fluorobenzoyl)amino]-3-methylbutanoyl]amino]methyl]-4-methylpentanoic acid
CID 119252939
4-methyl-2-[[(4-pyridin-3-yloxybenzoyl)amino]methyl]pentanoic acid
CID 120528640
4-methyl-2-[[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]methyl]pentanoic acid
CID 119252803
2-[(2-methoxyphenyl)methyl]-3-[[4-(propan-2-ylcarbamoyl)benzoyl]amino]propanoic acid
CID 120533112
2-[[(3,5-dimethoxy-4-methylbenzoyl)amino]methyl]-4-methylpentanoic acid
CID 119253434
4-methyl-2-[[[4-(pyrazol-1-ylmethyl)benzoyl]amino]methyl]pentanoic acid
CID 119252819
2-[[(2,6-dimethylbenzoyl)amino]methyl]-4-methylpentanoic acid
CID 103925730
2-[[(5-carbamoylpyridine-2-carbonyl)amino]methyl]-4-methylpentanoic acid
CID 119253750
2-[[[2-[(3,4-dimethylbenzoyl)amino]acetyl]amino]methyl]-4-methylpentanoic acid
CID 120528480
4-methyl-2-[[3-[(4-nitrobenzoyl)amino]propanoylamino]methyl]pentanoic acid
CID 119252668

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[[[4-(propan-2-ylcarbamoyl)benzoyl]amino]methyl]pentanoic acid?
The IUPAC name of 4-methyl-2-[[[4-(propan-2-ylcarbamoyl)benzoyl]amino]methyl]pentanoic acid (CID 120528496) is 4-methyl-2-[[[4-(propan-2-ylcarbamoyl)benzoyl]amino]methyl]pentanoic acid.
What is the SMILES notation for 4-methyl-2-[[[4-(propan-2-ylcarbamoyl)benzoyl]amino]methyl]pentanoic acid?
The canonical SMILES for 4-methyl-2-[[[4-(propan-2-ylcarbamoyl)benzoyl]amino]methyl]pentanoic acid is CC(C)CC(CNC(=O)c1ccc(C(=O)NC(C)C)cc1)C(=O)O.
What is the InChIKey of 4-methyl-2-[[[4-(propan-2-ylcarbamoyl)benzoyl]amino]methyl]pentanoic acid?
The InChIKey is MEEOFGLNPNIMKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O4/c1-11(2)9-15(18(23)24)10-19-16(21)13-5-7-14(8-6-13)17(22)20-12(3)4/h5-8,11-12,15H,9-10H2,1-4H3,(H,19,21)(H,20,22)(H,23,24).
What are the key properties of 4-methyl-2-[[[4-(propan-2-ylcarbamoyl)benzoyl]amino]methyl]pentanoic acid?
4-methyl-2-[[[4-(propan-2-ylcarbamoyl)benzoyl]amino]methyl]pentanoic acid has a molecular weight of 334.42 g/mol, XLogP of 2.30, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[[[4-(propan-2-ylcarbamoyl)benzoyl]amino]methyl]pentanoic acid is sourced from PubChem (CID 120528496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).