2-[1-[methyl-(3-methylbenzoyl)amino]cyclohexyl]acetic acid

C17H23NO3 — CID 65238537

IUPAC2-[1-[methyl-(3-methylbenzoyl)amino]cyclohexyl]acetic acid
SMILESCc1cccc(C(=O)N(C)C2(CC(=O)O)CCCCC2)c1
InChIInChI=1S/C17H23NO3/c1-13-7-6-8-14(11-13)16(21)18(2)17(12-15(19)20)9-4-3-5-10-17/h6-8,11H,3-5,9-10,12H2,1-2H3,(H,19,20)
InChIKeyDPLRVXWLRHXRMX-UHFFFAOYSA-N
MW289.38 g/mol
LogP3.24
Rot. Bonds4

About 2-[1-[methyl-(3-methylbenzoyl)amino]cyclohexyl]acetic acid

2-[1-[methyl-(3-methylbenzoyl)amino]cyclohexyl]acetic acid (PubChem CID 65238537) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-[1-[methyl-(3-methylbenzoyl)amino]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[methyl-(3-methylbenzoyl)amino]cyclohexyl]acetic acid
PubChem CID65238537
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC Name2-[1-[methyl-(3-methylbenzoyl)amino]cyclohexyl]acetic acid
SMILESCc1cccc(C(=O)N(C)C2(CC(=O)O)CCCCC2)c1
InChIInChI=1S/C17H23NO3/c1-13-7-6-8-14(11-13)16(21)18(2)17(12-15(19)20)9-4-3-5-10-17/h6-8,11H,3-5,9-10,12H2,1-2H3,(H,19,20)
InChIKeyDPLRVXWLRHXRMX-UHFFFAOYSA-N
XLogP3.24
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[methyl(pyridine-4-carbonyl)amino]cyclohexyl]acetic acid
CID 65243108
2-[1-[methyl-(3-methylpyridine-2-carbonyl)amino]cyclohexyl]acetic acid
CID 65237888
[1-(dimethylamino)cyclohexyl]-(3-methylphenyl)methanone
CID 79066640
2-[1-[methyl-(1-methylpyrrole-2-carbonyl)amino]cyclohexyl]acetic acid
CID 65238494
2-[1-[methyl-(4-methylthiophene-3-carbonyl)amino]cyclohexyl]acetic acid
CID 79803321
2-[1-(dimethylamino)cycloheptyl]acetic acid
CID 64526393
2-[1-[(3-methylbenzoyl)amino]cyclobutyl]acetic acid
CID 79848230
2-[1-[acetyl(methyl)amino]cyclohexyl]acetic acid
CID 65238588
(1-hydroxycyclohexyl)-(3-methylphenyl)methanone
CID 103449690
2-[1-[methyl(propanoyl)amino]cyclohexyl]acetic acid
CID 65242914
N-[1-(hydroxymethyl)cyclohexyl]-3-methylbenzamide
CID 62520382
N-[(1-hydroxycyclohexyl)methyl]-3-methylbenzamide
CID 64868051

Frequently Asked Questions

What is the IUPAC name of 2-[1-[methyl-(3-methylbenzoyl)amino]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[methyl-(3-methylbenzoyl)amino]cyclohexyl]acetic acid (CID 65238537) is 2-[1-[methyl-(3-methylbenzoyl)amino]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[methyl-(3-methylbenzoyl)amino]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[methyl-(3-methylbenzoyl)amino]cyclohexyl]acetic acid is Cc1cccc(C(=O)N(C)C2(CC(=O)O)CCCCC2)c1.
What is the InChIKey of 2-[1-[methyl-(3-methylbenzoyl)amino]cyclohexyl]acetic acid?
The InChIKey is DPLRVXWLRHXRMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-13-7-6-8-14(11-13)16(21)18(2)17(12-15(19)20)9-4-3-5-10-17/h6-8,11H,3-5,9-10,12H2,1-2H3,(H,19,20).
What are the key properties of 2-[1-[methyl-(3-methylbenzoyl)amino]cyclohexyl]acetic acid?
2-[1-[methyl-(3-methylbenzoyl)amino]cyclohexyl]acetic acid has a molecular weight of 289.38 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[methyl-(3-methylbenzoyl)amino]cyclohexyl]acetic acid is sourced from PubChem (CID 65238537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).