N-(2,4-dimethylphenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1-carboxamide

C16H22N2O — CID 13368842

IUPACN-(2,4-dimethylphenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1-carboxamide
SMILESCc1ccc(NC(=O)C2CCN3CCCC23)c(C)c1
InChIInChI=1S/C16H22N2O/c1-11-5-6-14(12(2)10-11)17-16(19)13-7-9-18-8-3-4-15(13)18/h5-6,10,13,15H,3-4,7-9H2,1-2H3,(H,17,19)
InChIKeyRDJOYIXMWCMVBB-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.73
Rot. Bonds2

About N-(2,4-dimethylphenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1-carboxamide

N-(2,4-dimethylphenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1-carboxamide (PubChem CID 13368842) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1-carboxamide
PubChem CID13368842
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC NameN-(2,4-dimethylphenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1-carboxamide
SMILESCc1ccc(NC(=O)C2CCN3CCCC23)c(C)c1
InChIInChI=1S/C16H22N2O/c1-11-5-6-14(12(2)10-11)17-16(19)13-7-9-18-8-3-4-15(13)18/h5-6,10,13,15H,3-4,7-9H2,1-2H3,(H,17,19)
InChIKeyRDJOYIXMWCMVBB-UHFFFAOYSA-N
XLogP2.73
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1S,2R)-2-[(2,4-dimethylphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 93344028
2-amino-N-(2,4-dimethylphenyl)cyclopentane-1-carboxamide
CID 64816599
N-(2,4-dimethylphenyl)cyclopropanecarboxamide
CID 5066654
N-(2,5-dimethoxyphenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1-carboxamide
CID 13368854
1-N-(2,4-dimethylphenyl)-2-N-phenylcyclopropane-1,2-dicarboxamide
CID 109140799
N-(2,4-dimethylphenyl)thiolane-2-carboxamide
CID 110857194
2-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-5-methylbenzoic acid
CID 55083359
N-(2,4-dimethylphenyl)-6-(piperidine-1-carbonyl)cyclohex-3-ene-1-carboxamide
CID 19133640
N-(2,4-dimethylphenyl)-2-methylpyrrolidine-3-carboxamide
CID 79383626
N-(2,4-dimethylphenyl)-1-phenylpiperidine-4-carboxamide
CID 17152381
tert-butyl 2-[(2,4-dimethylphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 2876304
2-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-4-methylbenzoic acid
CID 62711181

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1-carboxamide?
The IUPAC name of N-(2,4-dimethylphenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1-carboxamide (CID 13368842) is N-(2,4-dimethylphenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1-carboxamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1-carboxamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1-carboxamide is Cc1ccc(NC(=O)C2CCN3CCCC23)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1-carboxamide?
The InChIKey is RDJOYIXMWCMVBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-11-5-6-14(12(2)10-11)17-16(19)13-7-9-18-8-3-4-15(13)18/h5-6,10,13,15H,3-4,7-9H2,1-2H3,(H,17,19).
What are the key properties of N-(2,4-dimethylphenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1-carboxamide?
N-(2,4-dimethylphenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1-carboxamide has a molecular weight of 258.36 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1-carboxamide is sourced from PubChem (CID 13368842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).