4-[(2,6-dimethoxybenzoyl)amino]-4-methylpentanoic acid

C15H21NO5 — CID 62041534

IUPAC4-[(2,6-dimethoxybenzoyl)amino]-4-methylpentanoic acid
SMILESCOc1cccc(OC)c1C(=O)NC(C)(C)CCC(=O)O
InChIInChI=1S/C15H21NO5/c1-15(2,9-8-12(17)18)16-14(19)13-10(20-3)6-5-7-11(13)21-4/h5-7H,8-9H2,1-4H3,(H,16,19)(H,17,18)
InChIKeyIEAYRIHZHHNTSU-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.08
Rot. Bonds7

About 4-[(2,6-dimethoxybenzoyl)amino]-4-methylpentanoic acid

4-[(2,6-dimethoxybenzoyl)amino]-4-methylpentanoic acid (PubChem CID 62041534) has the molecular formula C15H21NO5 and a molecular weight of 295.34 g/mol. Its IUPAC name is 4-[(2,6-dimethoxybenzoyl)amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name4-[(2,6-dimethoxybenzoyl)amino]-4-methylpentanoic acid
PubChem CID62041534
Molecular FormulaC15H21NO5
Molecular Weight295.34 g/mol
Exact Mass295.14
IUPAC Name4-[(2,6-dimethoxybenzoyl)amino]-4-methylpentanoic acid
SMILESCOc1cccc(OC)c1C(=O)NC(C)(C)CCC(=O)O
InChIInChI=1S/C15H21NO5/c1-15(2,9-8-12(17)18)16-14(19)13-10(20-3)6-5-7-11(13)21-4/h5-7H,8-9H2,1-4H3,(H,16,19)(H,17,18)
InChIKeyIEAYRIHZHHNTSU-UHFFFAOYSA-N
XLogP2.08
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-bromo-2-methylpropan-2-yl)-2,6-dimethoxybenzamide
CID 113274115
4-[(3-hydroxy-4-methoxybenzoyl)amino]-4-methylpentanoic acid
CID 79725836
4-[(2,3-dihydroxybenzoyl)amino]-4-methylpentanoic acid
CID 114343317
4-[(4-methoxy-1-phenylpyrazole-3-carbonyl)amino]-4-methylpentanoic acid
CID 119204212
2,6-dimethoxy-N-(2-phenylpropan-2-yl)benzamide
CID 113091730
N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2,6-dimethoxybenzamide
CID 106180680
4-[(3-methoxy-4-prop-2-enoxybenzoyl)amino]-4-methylpentanoic acid
CID 119203920
4-[(2-chloro-6-nitrobenzoyl)amino]-4-methylpentanoic acid
CID 63660344
4-[(3-fluorobenzoyl)amino]-4-methylpentanoic acid
CID 62042184
4-[(3-bromobenzoyl)amino]-4-methylpentanoic acid
CID 62041752
4-[(5-fluoro-2-methoxyphenyl)carbamoylamino]-4-methylpentanoic acid
CID 122088492
4-methyl-4-[(3-nitrobenzoyl)amino]pentanoic acid
CID 62043921

Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-dimethoxybenzoyl)amino]-4-methylpentanoic acid?
The IUPAC name of 4-[(2,6-dimethoxybenzoyl)amino]-4-methylpentanoic acid (CID 62041534) is 4-[(2,6-dimethoxybenzoyl)amino]-4-methylpentanoic acid.
What is the SMILES notation for 4-[(2,6-dimethoxybenzoyl)amino]-4-methylpentanoic acid?
The canonical SMILES for 4-[(2,6-dimethoxybenzoyl)amino]-4-methylpentanoic acid is COc1cccc(OC)c1C(=O)NC(C)(C)CCC(=O)O.
What is the InChIKey of 4-[(2,6-dimethoxybenzoyl)amino]-4-methylpentanoic acid?
The InChIKey is IEAYRIHZHHNTSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO5/c1-15(2,9-8-12(17)18)16-14(19)13-10(20-3)6-5-7-11(13)21-4/h5-7H,8-9H2,1-4H3,(H,16,19)(H,17,18).
What are the key properties of 4-[(2,6-dimethoxybenzoyl)amino]-4-methylpentanoic acid?
4-[(2,6-dimethoxybenzoyl)amino]-4-methylpentanoic acid has a molecular weight of 295.34 g/mol, XLogP of 2.08, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,6-dimethoxybenzoyl)amino]-4-methylpentanoic acid is sourced from PubChem (CID 62041534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).