trans-(1R,2R)-2-methyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]cyclopropane-1-carboxamide

C17H24N2O — CID 31592161

IUPACtrans-(1R,2R)-2-methyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]cyclopropane-1-carboxamide
SMILESC[C@@H]1C[C@H]1C(=O)NCc1ccc(CN2CCCC2)cc1
InChIInChI=1S/C17H24N2O/c1-13-10-16(13)17(20)18-11-14-4-6-15(7-5-14)12-19-8-2-3-9-19/h4-7,13,16H,2-3,8-12H2,1H3,(H,18,20)/t13-,16-/m1/s1
InChIKeyFTGHRDKOCPMFJV-CZUORRHYSA-N
MW272.39 g/mol
LogP2.55
Rot. Bonds5

About trans-(1R,2R)-2-methyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]cyclopropane-1-carboxamide

trans-(1R,2R)-2-methyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]cyclopropane-1-carboxamide (PubChem CID 31592161) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is trans-(1R,2R)-2-methyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-2-methyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]cyclopropane-1-carboxamide
PubChem CID31592161
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Nametrans-(1R,2R)-2-methyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]cyclopropane-1-carboxamide
SMILESC[C@@H]1C[C@H]1C(=O)NCc1ccc(CN2CCCC2)cc1
InChIInChI=1S/C17H24N2O/c1-13-10-16(13)17(20)18-11-14-4-6-15(7-5-14)12-19-8-2-3-9-19/h4-7,13,16H,2-3,8-12H2,1H3,(H,18,20)/t13-,16-/m1/s1
InChIKeyFTGHRDKOCPMFJV-CZUORRHYSA-N
XLogP2.55
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]cyclopropane-1-carboxamide
CID 18119455
cis-(1S,2R)-N-[[4-[[(3R,5S)-3,5-dimethylpiperidin-1-yl]methyl]phenyl]methyl]-2-methylcyclopropane-1-carboxamide
CID 99845322
(1R,2S,5R)-5-methyl-2-propan-2-yl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]cyclohexane-1-carboxamide
CID 164904741
N-[(4-hydroxyphenyl)methyl]-2-methylcyclopropane-1-carboxamide
CID 47148508
(2S,4S)-N-[[4-(azepan-1-ylmethyl)phenyl]methyl]-2-methylpiperidine-4-carboxamide
CID 120634706
N-[[4-(bromomethyl)phenyl]methyl]-2-methylcyclopropane-1-carboxamide
CID 107233713
(2S)-N-benzyl-2-methylcyclopropane-1-carboxamide
CID 164843692
trans-(1R,2R)-N-[[4-(dimethylamino)phenyl]methyl]-2-methylcyclopropane-1-carboxamide
CID 25344132
cis-(1S,2R)-N-[(4-methoxyphenyl)methyl]-2-methylcyclopropane-1-carboxamide
CID 7772441
N-[[4-(2-aminoethyl)phenyl]methyl]-2-methylcyclopropane-1-carboxamide
CID 62501487
trans-(1R,2R)-N-[3-[[4-[[(3R,5S)-3,5-dimethylpiperidin-1-yl]methyl]phenyl]methylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 100853179
2,2-dichloro-1-methyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]cyclopropane-1-carboxamide
CID 51213391

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-methyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]cyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-2-methyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]cyclopropane-1-carboxamide (CID 31592161) is trans-(1R,2R)-2-methyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-2-methyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-2-methyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]cyclopropane-1-carboxamide is C[C@@H]1C[C@H]1C(=O)NCc1ccc(CN2CCCC2)cc1.
What is the InChIKey of trans-(1R,2R)-2-methyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]cyclopropane-1-carboxamide?
The InChIKey is FTGHRDKOCPMFJV-CZUORRHYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-13-10-16(13)17(20)18-11-14-4-6-15(7-5-14)12-19-8-2-3-9-19/h4-7,13,16H,2-3,8-12H2,1H3,(H,18,20)/t13-,16-/m1/s1.
What are the key properties of trans-(1R,2R)-2-methyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]cyclopropane-1-carboxamide?
trans-(1R,2R)-2-methyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]cyclopropane-1-carboxamide has a molecular weight of 272.39 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-methyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 31592161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).