N-(2-methoxy-5-methylphenyl)-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide

C17H22N2O3 — CID 109131920

IUPACN-(2-methoxy-5-methylphenyl)-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)C1CC1C(=O)N1CCCC1
InChIInChI=1S/C17H22N2O3/c1-11-5-6-15(22-2)14(9-11)18-16(20)12-10-13(12)17(21)19-7-3-4-8-19/h5-6,9,12-13H,3-4,7-8,10H2,1-2H3,(H,18,20)
InChIKeyGWJCYMBCYHBEFJ-UHFFFAOYSA-N
MW302.37 g/mol
LogP2.20
Rot. Bonds4

About N-(2-methoxy-5-methylphenyl)-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide

N-(2-methoxy-5-methylphenyl)-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide (PubChem CID 109131920) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(2-methoxy-5-methylphenyl)-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide
PubChem CID109131920
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC NameN-(2-methoxy-5-methylphenyl)-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)C1CC1C(=O)N1CCCC1
InChIInChI=1S/C17H22N2O3/c1-11-5-6-15(22-2)14(9-11)18-16(20)12-10-13(12)17(21)19-7-3-4-8-19/h5-6,9,12-13H,3-4,7-8,10H2,1-2H3,(H,18,20)
InChIKeyGWJCYMBCYHBEFJ-UHFFFAOYSA-N
XLogP2.20
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-[2-[(2-methoxy-5-methylphenyl)carbamoyl]cyclopropanecarbonyl]piperazine-1-carboxylate
CID 109138972
2-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(2-methoxy-5-methylphenyl)cyclopropane-1-carboxamide
CID 109141445
1-N,3-N-bis(2-methoxy-5-methylphenyl)cyclohexane-1,3-dicarboxamide
CID 60594031
N-(2-methoxy-5-methylphenyl)-4-(4-methylpiperazine-1-carbonyl)cyclohexane-1-carboxamide
CID 109147450
2-[[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 119182807
1-N-(2-methoxy-5-methylphenyl)-2-N-(4-propan-2-ylphenyl)cyclopropane-1,2-dicarboxamide
CID 109142370
N-(2-methoxyphenyl)-2-(4-methylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 109134246
N-(2,5-dimethylphenyl)-2-(3-methylpiperidine-1-carbonyl)cyclopropane-1-carboxamide
CID 109140395
N-(2-methoxy-5-methylphenyl)pyrrolidine-1-carbothioamide
CID 19653629
2-amino-N-(2-methoxy-5-methylphenyl)cyclohexane-1-carboxamide
CID 64818120
1-N-(5-chloro-2-methoxyphenyl)-2-N-(2,4-dimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109141518
N-(2-methylphenyl)-2-(piperidine-1-carbonyl)cyclopropane-1-carboxamide
CID 109132258

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-methylphenyl)-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide?
The IUPAC name of N-(2-methoxy-5-methylphenyl)-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide (CID 109131920) is N-(2-methoxy-5-methylphenyl)-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-(2-methoxy-5-methylphenyl)-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-(2-methoxy-5-methylphenyl)-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide is COc1ccc(C)cc1NC(=O)C1CC1C(=O)N1CCCC1.
What is the InChIKey of N-(2-methoxy-5-methylphenyl)-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide?
The InChIKey is GWJCYMBCYHBEFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-11-5-6-15(22-2)14(9-11)18-16(20)12-10-13(12)17(21)19-7-3-4-8-19/h5-6,9,12-13H,3-4,7-8,10H2,1-2H3,(H,18,20).
What are the key properties of N-(2-methoxy-5-methylphenyl)-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide?
N-(2-methoxy-5-methylphenyl)-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide has a molecular weight of 302.37 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-methylphenyl)-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 109131920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).