methyl 4-[(4-hydroxy-2-methylbenzoyl)amino]cyclohexane-1-carboxylate

C16H21NO4 — CID 103865460

IUPACmethyl 4-[(4-hydroxy-2-methylbenzoyl)amino]cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCC(NC(=O)c2ccc(O)cc2C)CC1
InChIInChI=1S/C16H21NO4/c1-10-9-13(18)7-8-14(10)15(19)17-12-5-3-11(4-6-12)16(20)21-2/h7-9,11-12,18H,3-6H2,1-2H3,(H,17,19)
InChIKeyQSPXNKUTTKYUEI-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.16
Rot. Bonds3

About methyl 4-[(4-hydroxy-2-methylbenzoyl)amino]cyclohexane-1-carboxylate

methyl 4-[(4-hydroxy-2-methylbenzoyl)amino]cyclohexane-1-carboxylate (PubChem CID 103865460) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is methyl 4-[(4-hydroxy-2-methylbenzoyl)amino]cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(4-hydroxy-2-methylbenzoyl)amino]cyclohexane-1-carboxylate
PubChem CID103865460
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Namemethyl 4-[(4-hydroxy-2-methylbenzoyl)amino]cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCC(NC(=O)c2ccc(O)cc2C)CC1
InChIInChI=1S/C16H21NO4/c1-10-9-13(18)7-8-14(10)15(19)17-12-5-3-11(4-6-12)16(20)21-2/h7-9,11-12,18H,3-6H2,1-2H3,(H,17,19)
InChIKeyQSPXNKUTTKYUEI-UHFFFAOYSA-N
XLogP2.16
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclobutyl-4-hydroxy-2-methylbenzamide
CID 103865467
4-hydroxy-2-methyl-N-piperidin-4-ylbenzamide
CID 107671351
methyl 4-[(2,3-dihydroxybenzoyl)amino]cyclohexane-1-carboxylate
CID 114345140
methyl 4-[(2-chloro-4-methylbenzoyl)amino]cyclohexane-1-carboxylate
CID 103581955
4-[(4-methoxy-2-methylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 119228986
methyl 4-[(4-iodobenzoyl)amino]cyclohexane-1-carboxylate
CID 115617185
methyl 4-[(4-bromobenzoyl)amino]cyclohexane-1-carboxylate
CID 115617198
4-hydroxy-2-methyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide
CID 103865106
N-(4-chlorocyclohexyl)-2,4-dihydroxybenzamide
CID 107725924
methyl 4-[(2-bromofuran-3-carbonyl)amino]cyclohexane-1-carboxylate
CID 106855282
methyl 4-[(5-chloro-2-methylpyridine-3-carbonyl)amino]cyclohexane-1-carboxylate
CID 67185079
N-(2,2-dimethyloxan-4-yl)-4-hydroxy-2-methylbenzamide
CID 103867319

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(4-hydroxy-2-methylbenzoyl)amino]cyclohexane-1-carboxylate?
The IUPAC name of methyl 4-[(4-hydroxy-2-methylbenzoyl)amino]cyclohexane-1-carboxylate (CID 103865460) is methyl 4-[(4-hydroxy-2-methylbenzoyl)amino]cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 4-[(4-hydroxy-2-methylbenzoyl)amino]cyclohexane-1-carboxylate?
The canonical SMILES for methyl 4-[(4-hydroxy-2-methylbenzoyl)amino]cyclohexane-1-carboxylate is COC(=O)C1CCC(NC(=O)c2ccc(O)cc2C)CC1.
What is the InChIKey of methyl 4-[(4-hydroxy-2-methylbenzoyl)amino]cyclohexane-1-carboxylate?
The InChIKey is QSPXNKUTTKYUEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO4/c1-10-9-13(18)7-8-14(10)15(19)17-12-5-3-11(4-6-12)16(20)21-2/h7-9,11-12,18H,3-6H2,1-2H3,(H,17,19).
What are the key properties of methyl 4-[(4-hydroxy-2-methylbenzoyl)amino]cyclohexane-1-carboxylate?
methyl 4-[(4-hydroxy-2-methylbenzoyl)amino]cyclohexane-1-carboxylate has a molecular weight of 291.35 g/mol, XLogP of 2.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(4-hydroxy-2-methylbenzoyl)amino]cyclohexane-1-carboxylate is sourced from PubChem (CID 103865460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).