methyl 2-[(4-methoxybenzoyl)amino]-4-methylpentanoate

C15H21NO4 — CID 3376404

IUPACmethyl 2-[(4-methoxybenzoyl)amino]-4-methylpentanoate
SMILESCOC(=O)C(CC(C)C)NC(=O)c1ccc(OC)cc1
InChIInChI=1S/C15H21NO4/c1-10(2)9-13(15(18)20-4)16-14(17)11-5-7-12(19-3)8-6-11/h5-8,10,13H,9H2,1-4H3,(H,16,17)
InChIKeyFHNBAPUPKDPPHY-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.01
Rot. Bonds6

About methyl 2-[(4-methoxybenzoyl)amino]-4-methylpentanoate

methyl 2-[(4-methoxybenzoyl)amino]-4-methylpentanoate (PubChem CID 3376404) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is methyl 2-[(4-methoxybenzoyl)amino]-4-methylpentanoate.

Molecular Properties

Compound Namemethyl 2-[(4-methoxybenzoyl)amino]-4-methylpentanoate
PubChem CID3376404
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Namemethyl 2-[(4-methoxybenzoyl)amino]-4-methylpentanoate
SMILESCOC(=O)C(CC(C)C)NC(=O)c1ccc(OC)cc1
InChIInChI=1S/C15H21NO4/c1-10(2)9-13(15(18)20-4)16-14(17)11-5-7-12(19-3)8-6-11/h5-8,10,13H,9H2,1-4H3,(H,16,17)
InChIKeyFHNBAPUPKDPPHY-UHFFFAOYSA-N
XLogP2.01
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2R)-2-[(4-acetyloxybenzoyl)amino]-4-methylpentanoate
CID 1121981
methyl 2-[(4-fluorobenzoyl)amino]-4-methylpentanoate
CID 2915918
methyl 2-[(4-iodobenzoyl)amino]-4-methylpentanoate
CID 43404335
methyl (2S)-4-methyl-2-[(4-methylsulfonylbenzoyl)amino]pentanoate
CID 2532850
methyl 4-methyl-2-[[4-(methylsulfanylmethyl)benzoyl]amino]pentanoate
CID 43404300
methyl (2S)-2-[(3,4-dimethylbenzoyl)amino]-4-methylpentanoate
CID 798267
methyl (2R)-2-[(3,4-dimethylbenzoyl)amino]-4-methylpentanoate
CID 798268
methyl (2S)-2-[(3-aminobenzoyl)amino]-4-methylpentanoate
CID 59948585
methyl 2-[(3-aminobenzoyl)amino]-4-methylpentanoate
CID 20624047
methyl 4-methyl-2-(thiophene-3-carbonylamino)pentanoate
CID 43406132
ethyl (2S)-2-[(4-butoxybenzoyl)amino]-4-methylpentanoate
CID 54314301
methyl (2R)-2-[(6-chloropyridine-3-carbonyl)amino]-4-methylpentanoate
CID 51681559

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-methoxybenzoyl)amino]-4-methylpentanoate?
The IUPAC name of methyl 2-[(4-methoxybenzoyl)amino]-4-methylpentanoate (CID 3376404) is methyl 2-[(4-methoxybenzoyl)amino]-4-methylpentanoate.
What is the SMILES notation for methyl 2-[(4-methoxybenzoyl)amino]-4-methylpentanoate?
The canonical SMILES for methyl 2-[(4-methoxybenzoyl)amino]-4-methylpentanoate is COC(=O)C(CC(C)C)NC(=O)c1ccc(OC)cc1.
What is the InChIKey of methyl 2-[(4-methoxybenzoyl)amino]-4-methylpentanoate?
The InChIKey is FHNBAPUPKDPPHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-10(2)9-13(15(18)20-4)16-14(17)11-5-7-12(19-3)8-6-11/h5-8,10,13H,9H2,1-4H3,(H,16,17).
What are the key properties of methyl 2-[(4-methoxybenzoyl)amino]-4-methylpentanoate?
methyl 2-[(4-methoxybenzoyl)amino]-4-methylpentanoate has a molecular weight of 279.34 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-methoxybenzoyl)amino]-4-methylpentanoate is sourced from PubChem (CID 3376404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).