2-[[2-[(3-methoxybenzoyl)amino]acetyl]amino]-2-methylcyclohexane-1-carboxylic acid

C18H24N2O5 — CID 120545609

IUPAC2-[[2-[(3-methoxybenzoyl)amino]acetyl]amino]-2-methylcyclohexane-1-carboxylic acid
SMILESCOc1cccc(C(=O)NCC(=O)NC2(C)CCCCC2C(=O)O)c1
InChIInChI=1S/C18H24N2O5/c1-18(9-4-3-8-14(18)17(23)24)20-15(21)11-19-16(22)12-6-5-7-13(10-12)25-2/h5-7,10,14H,3-4,8-9,11H2,1-2H3,(H,19,22)(H,20,21)(H,23,24)
InChIKeyXIPIMPSXGJVAHA-UHFFFAOYSA-N
MW348.40 g/mol
LogP1.57
Rot. Bonds6

About 2-[[2-[(3-methoxybenzoyl)amino]acetyl]amino]-2-methylcyclohexane-1-carboxylic acid

2-[[2-[(3-methoxybenzoyl)amino]acetyl]amino]-2-methylcyclohexane-1-carboxylic acid (PubChem CID 120545609) has the molecular formula C18H24N2O5 and a molecular weight of 348.40 g/mol. Its IUPAC name is 2-[[2-[(3-methoxybenzoyl)amino]acetyl]amino]-2-methylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[2-[(3-methoxybenzoyl)amino]acetyl]amino]-2-methylcyclohexane-1-carboxylic acid
PubChem CID120545609
Molecular FormulaC18H24N2O5
Molecular Weight348.40 g/mol
Exact Mass348.17
IUPAC Name2-[[2-[(3-methoxybenzoyl)amino]acetyl]amino]-2-methylcyclohexane-1-carboxylic acid
SMILESCOc1cccc(C(=O)NCC(=O)NC2(C)CCCCC2C(=O)O)c1
InChIInChI=1S/C18H24N2O5/c1-18(9-4-3-8-14(18)17(23)24)20-15(21)11-19-16(22)12-6-5-7-13(10-12)25-2/h5-7,10,14H,3-4,8-9,11H2,1-2H3,(H,19,22)(H,20,21)(H,23,24)
InChIKeyXIPIMPSXGJVAHA-UHFFFAOYSA-N
XLogP1.57
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[[2-[(3-methoxybenzoyl)amino]acetyl]amino]-2-methylcyclohexane-1-carboxylic acid with MolForge

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Related Compounds

N-[2-(cyclopentanecarbonylamino)ethyl]-3-methoxybenzamide
CID 134039540
1-[(3-methoxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 43151448
2-[[3-(cyclopropylcarbamoylamino)benzoyl]amino]-2-methylcyclohexane-1-carboxylic acid
CID 120546278
N-[1-(hydroxymethyl)cyclopropyl]-3-methoxybenzamide
CID 115764584
methyl 4-[[2-[(3-methoxybenzoyl)amino]acetyl]amino]benzoate
CID 26583191
N-(1-cyanocycloheptyl)-3-methoxybenzamide
CID 60967258
cycloheptyl-(3-methoxyphenyl)methanone
CID 65399617
N-[2-(3,5-dichloroanilino)-2-oxoethyl]-3-methoxybenzamide
CID 46745605
N-[[1-(chloromethyl)cyclohexyl]methyl]-3-methoxybenzamide
CID 103969532
N-[3-(cyclohexylamino)-3-oxopropyl]-3-methoxybenzamide
CID 17226027
N-[2-[(1-hydroxycyclohexanecarbonyl)amino]ethyl]-3-methoxybenzamide
CID 122150789
N-[[1-(dimethylamino)cyclohexyl]methyl]-3-methoxybenzamide;hydrochloride
CID 20994999

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(3-methoxybenzoyl)amino]acetyl]amino]-2-methylcyclohexane-1-carboxylic acid?
The IUPAC name of 2-[[2-[(3-methoxybenzoyl)amino]acetyl]amino]-2-methylcyclohexane-1-carboxylic acid (CID 120545609) is 2-[[2-[(3-methoxybenzoyl)amino]acetyl]amino]-2-methylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[[2-[(3-methoxybenzoyl)amino]acetyl]amino]-2-methylcyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[[2-[(3-methoxybenzoyl)amino]acetyl]amino]-2-methylcyclohexane-1-carboxylic acid is COc1cccc(C(=O)NCC(=O)NC2(C)CCCCC2C(=O)O)c1.
What is the InChIKey of 2-[[2-[(3-methoxybenzoyl)amino]acetyl]amino]-2-methylcyclohexane-1-carboxylic acid?
The InChIKey is XIPIMPSXGJVAHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O5/c1-18(9-4-3-8-14(18)17(23)24)20-15(21)11-19-16(22)12-6-5-7-13(10-12)25-2/h5-7,10,14H,3-4,8-9,11H2,1-2H3,(H,19,22)(H,20,21)(H,23,24).
What are the key properties of 2-[[2-[(3-methoxybenzoyl)amino]acetyl]amino]-2-methylcyclohexane-1-carboxylic acid?
2-[[2-[(3-methoxybenzoyl)amino]acetyl]amino]-2-methylcyclohexane-1-carboxylic acid has a molecular weight of 348.40 g/mol, XLogP of 1.57, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(3-methoxybenzoyl)amino]acetyl]amino]-2-methylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 120545609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).