4-[[4-(methoxymethyl)benzoyl]amino]cyclohexane-1-carboxylic acid

C16H21NO4 — CID 60809682

IUPAC4-[[4-(methoxymethyl)benzoyl]amino]cyclohexane-1-carboxylic acid
SMILESCOCc1ccc(C(=O)NC2CCC(C(=O)O)CC2)cc1
InChIInChI=1S/C16H21NO4/c1-21-10-11-2-4-12(5-3-11)15(18)17-14-8-6-13(7-9-14)16(19)20/h2-5,13-14H,6-10H2,1H3,(H,17,18)(H,19,20)
InChIKeyRVEFAVPBEHOMEH-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.21
Rot. Bonds5

About 4-[[4-(methoxymethyl)benzoyl]amino]cyclohexane-1-carboxylic acid

4-[[4-(methoxymethyl)benzoyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 60809682) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is 4-[[4-(methoxymethyl)benzoyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[4-(methoxymethyl)benzoyl]amino]cyclohexane-1-carboxylic acid
PubChem CID60809682
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Name4-[[4-(methoxymethyl)benzoyl]amino]cyclohexane-1-carboxylic acid
SMILESCOCc1ccc(C(=O)NC2CCC(C(=O)O)CC2)cc1
InChIInChI=1S/C16H21NO4/c1-21-10-11-2-4-12(5-3-11)15(18)17-14-8-6-13(7-9-14)16(19)20/h2-5,13-14H,6-10H2,1H3,(H,17,18)(H,19,20)
InChIKeyRVEFAVPBEHOMEH-UHFFFAOYSA-N
XLogP2.21
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[4-(hydroxymethyl)benzoyl]amino]cyclohexane-1-carboxylic acid
CID 60809354
4-[[4-(2-methylpropyl)benzoyl]amino]cyclohexane-1-carboxylic acid
CID 166193453
4-[(4-tert-butylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 119229777
cis-(1R,3S)-3-[[4-(hydroxymethyl)benzoyl]amino]cyclopentane-1-carboxylic acid
CID 114173152
4-[[4-[(cyclopentanecarbonylamino)methyl]benzoyl]amino]cyclohexane-1-carboxylic acid
CID 119229257
cis-(1R,3S)-3-[[4-(2-methoxyethylsulfamoyl)benzoyl]amino]cyclopentane-1-carboxylic acid
CID 120678088
cis-(1R,3S)-3-[[4-(acetamidomethyl)benzoyl]amino]cyclopentane-1-carboxylic acid
CID 120677359
methyl N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]carbamate
CID 110465113
N-[4-(cyclopropanecarbonylamino)phenyl]-4-(methoxymethyl)benzamide
CID 41266000
N-[(3R)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-4-(methoxymethyl)benzamide
CID 95616964
4-(methoxymethyl)-N-[4-[6-[methyl(pentyl)amino]hexoxy]cyclohexyl]benzamide
CID 70020547
4-benzyl-N-cyclopropylbenzamide
CID 45086871

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(methoxymethyl)benzoyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[4-(methoxymethyl)benzoyl]amino]cyclohexane-1-carboxylic acid (CID 60809682) is 4-[[4-(methoxymethyl)benzoyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[4-(methoxymethyl)benzoyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[4-(methoxymethyl)benzoyl]amino]cyclohexane-1-carboxylic acid is COCc1ccc(C(=O)NC2CCC(C(=O)O)CC2)cc1.
What is the InChIKey of 4-[[4-(methoxymethyl)benzoyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is RVEFAVPBEHOMEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO4/c1-21-10-11-2-4-12(5-3-11)15(18)17-14-8-6-13(7-9-14)16(19)20/h2-5,13-14H,6-10H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 4-[[4-(methoxymethyl)benzoyl]amino]cyclohexane-1-carboxylic acid?
4-[[4-(methoxymethyl)benzoyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 291.35 g/mol, XLogP of 2.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(methoxymethyl)benzoyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 60809682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).