N-(2-methyl-4-propoxyphenyl)pyrrolidine-3-carboxamide

C15H22N2O2 — CID 119739476

IUPACN-(2-methyl-4-propoxyphenyl)pyrrolidine-3-carboxamide
SMILESCCCOc1ccc(NC(=O)C2CCNC2)c(C)c1
InChIInChI=1S/C15H22N2O2/c1-3-8-19-13-4-5-14(11(2)9-13)17-15(18)12-6-7-16-10-12/h4-5,9,12,16H,3,6-8,10H2,1-2H3,(H,17,18)
InChIKeySUNMUHSLSYSHFK-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.33
Rot. Bonds5

About N-(2-methyl-4-propoxyphenyl)pyrrolidine-3-carboxamide

N-(2-methyl-4-propoxyphenyl)pyrrolidine-3-carboxamide (PubChem CID 119739476) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N-(2-methyl-4-propoxyphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-4-propoxyphenyl)pyrrolidine-3-carboxamide
PubChem CID119739476
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN-(2-methyl-4-propoxyphenyl)pyrrolidine-3-carboxamide
SMILESCCCOc1ccc(NC(=O)C2CCNC2)c(C)c1
InChIInChI=1S/C15H22N2O2/c1-3-8-19-13-4-5-14(11(2)9-13)17-15(18)12-6-7-16-10-12/h4-5,9,12,16H,3,6-8,10H2,1-2H3,(H,17,18)
InChIKeySUNMUHSLSYSHFK-UHFFFAOYSA-N
XLogP2.33
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(2-methoxyethoxy)-2-methylphenyl]piperidine-4-carboxamide;hydrochloride
CID 119289436
(2-methyl-4-propoxyphenyl)carbamic acid
CID 118108315
N-(3-butoxyphenyl)pyrrolidine-3-carboxamide
CID 119745768
N-(4-methyl-2-propoxyphenyl)piperidine-3-carboxamide
CID 60928613
3-amino-N-(4-butoxy-2-methylphenyl)cyclopentane-1-carboxamide
CID 119739406
(3R)-N-(2-methylphenyl)pyrrolidine-3-carboxamide
CID 94915623
N-(4-carbamoyl-2-methylphenyl)pyrrolidine-3-carboxamide
CID 63007219
N-[4-(2-methoxyethoxy)-2-methylphenyl]morpholine-2-carboxamide;hydrochloride
CID 119723519
4-amino-N-(4-ethoxy-2-methylphenyl)cyclohexane-1-carboxamide
CID 60928404
2-[4-(cyclobutanecarbonylamino)-3-methylphenoxy]acetic acid
CID 119231823
N-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide
CID 119759921
N-(4-tert-butylsulfanyl-2-methylphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119765619

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-4-propoxyphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(2-methyl-4-propoxyphenyl)pyrrolidine-3-carboxamide (CID 119739476) is N-(2-methyl-4-propoxyphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2-methyl-4-propoxyphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(2-methyl-4-propoxyphenyl)pyrrolidine-3-carboxamide is CCCOc1ccc(NC(=O)C2CCNC2)c(C)c1.
What is the InChIKey of N-(2-methyl-4-propoxyphenyl)pyrrolidine-3-carboxamide?
The InChIKey is SUNMUHSLSYSHFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-3-8-19-13-4-5-14(11(2)9-13)17-15(18)12-6-7-16-10-12/h4-5,9,12,16H,3,6-8,10H2,1-2H3,(H,17,18).
What are the key properties of N-(2-methyl-4-propoxyphenyl)pyrrolidine-3-carboxamide?
N-(2-methyl-4-propoxyphenyl)pyrrolidine-3-carboxamide has a molecular weight of 262.35 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-4-propoxyphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 119739476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).