1-[2-[2-methyl-5-(methylcarbamoyl)anilino]-2-oxoethyl]cycloheptane-1-carboxylic acid

C19H26N2O4 — CID 34354093

IUPAC1-[2-[2-methyl-5-(methylcarbamoyl)anilino]-2-oxoethyl]cycloheptane-1-carboxylic acid
SMILESCNC(=O)c1ccc(C)c(NC(=O)CC2(C(=O)O)CCCCCC2)c1
InChIInChI=1S/C19H26N2O4/c1-13-7-8-14(17(23)20-2)11-15(13)21-16(22)12-19(18(24)25)9-5-3-4-6-10-19/h7-8,11H,3-6,9-10,12H2,1-2H3,(H,20,23)(H,21,22)(H,24,25)
InChIKeyWAZFQJABLCGJIS-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.11
Rot. Bonds5

About 1-[2-[2-methyl-5-(methylcarbamoyl)anilino]-2-oxoethyl]cycloheptane-1-carboxylic acid

1-[2-[2-methyl-5-(methylcarbamoyl)anilino]-2-oxoethyl]cycloheptane-1-carboxylic acid (PubChem CID 34354093) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is 1-[2-[2-methyl-5-(methylcarbamoyl)anilino]-2-oxoethyl]cycloheptane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-[2-methyl-5-(methylcarbamoyl)anilino]-2-oxoethyl]cycloheptane-1-carboxylic acid
PubChem CID34354093
Molecular FormulaC19H26N2O4
Molecular Weight346.43 g/mol
Exact Mass346.19
IUPAC Name1-[2-[2-methyl-5-(methylcarbamoyl)anilino]-2-oxoethyl]cycloheptane-1-carboxylic acid
SMILESCNC(=O)c1ccc(C)c(NC(=O)CC2(C(=O)O)CCCCCC2)c1
InChIInChI=1S/C19H26N2O4/c1-13-7-8-14(17(23)20-2)11-15(13)21-16(22)12-19(18(24)25)9-5-3-4-6-10-19/h7-8,11H,3-6,9-10,12H2,1-2H3,(H,20,23)(H,21,22)(H,24,25)
InChIKeyWAZFQJABLCGJIS-UHFFFAOYSA-N
XLogP3.11
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[2-methoxy-5-(methylcarbamoyl)anilino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 56816635
1-[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 45312610
3-[(2-aminoacetyl)amino]-N,4-dimethylbenzamide
CID 43711940
5-[2-methyl-5-(methylcarbamoyl)anilino]-5-oxopentanoic acid
CID 60941385
1-[2-(3-acetamido-2,4-dimethylanilino)-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 56816659
1-[2-[(3-methyl-4-pyridinyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 63671026
1-[2-(2,5-difluoro-4-methylanilino)-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 103584581
1-[2-[(2-methyl-3-pyridinyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 79041898
3-methyl-5-[2-methyl-5-(methylcarbamoyl)anilino]-5-oxopentanoic acid
CID 62963858
N,4-dimethyl-3-[[2-[(2-phenylacetyl)amino]acetyl]amino]benzamide
CID 43073786
3-(5-hydroxypentanoylamino)-N,4-dimethylbenzamide
CID 79199583
3-(3-aminobutanoylamino)-N,4-dimethylbenzamide
CID 60843540

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-methyl-5-(methylcarbamoyl)anilino]-2-oxoethyl]cycloheptane-1-carboxylic acid?
The IUPAC name of 1-[2-[2-methyl-5-(methylcarbamoyl)anilino]-2-oxoethyl]cycloheptane-1-carboxylic acid (CID 34354093) is 1-[2-[2-methyl-5-(methylcarbamoyl)anilino]-2-oxoethyl]cycloheptane-1-carboxylic acid.
What is the SMILES notation for 1-[2-[2-methyl-5-(methylcarbamoyl)anilino]-2-oxoethyl]cycloheptane-1-carboxylic acid?
The canonical SMILES for 1-[2-[2-methyl-5-(methylcarbamoyl)anilino]-2-oxoethyl]cycloheptane-1-carboxylic acid is CNC(=O)c1ccc(C)c(NC(=O)CC2(C(=O)O)CCCCCC2)c1.
What is the InChIKey of 1-[2-[2-methyl-5-(methylcarbamoyl)anilino]-2-oxoethyl]cycloheptane-1-carboxylic acid?
The InChIKey is WAZFQJABLCGJIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O4/c1-13-7-8-14(17(23)20-2)11-15(13)21-16(22)12-19(18(24)25)9-5-3-4-6-10-19/h7-8,11H,3-6,9-10,12H2,1-2H3,(H,20,23)(H,21,22)(H,24,25).
What are the key properties of 1-[2-[2-methyl-5-(methylcarbamoyl)anilino]-2-oxoethyl]cycloheptane-1-carboxylic acid?
1-[2-[2-methyl-5-(methylcarbamoyl)anilino]-2-oxoethyl]cycloheptane-1-carboxylic acid has a molecular weight of 346.43 g/mol, XLogP of 3.11, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-methyl-5-(methylcarbamoyl)anilino]-2-oxoethyl]cycloheptane-1-carboxylic acid is sourced from PubChem (CID 34354093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).