cis-(1S,2R)-N-[(4-methoxyphenyl)methyl]-2-methylcyclopropane-1-carboxamide

C13H17NO2 — CID 7772441

IUPACcis-(1S,2R)-N-[(4-methoxyphenyl)methyl]-2-methylcyclopropane-1-carboxamide
SMILESCOc1ccc(CNC(=O)[C@H]2C[C@H]2C)cc1
InChIInChI=1S/C13H17NO2/c1-9-7-12(9)13(15)14-8-10-3-5-11(16-2)6-4-10/h3-6,9,12H,7-8H2,1-2H3,(H,14,15)/t9-,12+/m1/s1
InChIKeyTXRRMTOHYFGEQQ-SKDRFNHKSA-N
MW219.28 g/mol
LogP1.97
Rot. Bonds4

About cis-(1S,2R)-N-[(4-methoxyphenyl)methyl]-2-methylcyclopropane-1-carboxamide

cis-(1S,2R)-N-[(4-methoxyphenyl)methyl]-2-methylcyclopropane-1-carboxamide (PubChem CID 7772441) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is cis-(1S,2R)-N-[(4-methoxyphenyl)methyl]-2-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2R)-N-[(4-methoxyphenyl)methyl]-2-methylcyclopropane-1-carboxamide
PubChem CID7772441
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Namecis-(1S,2R)-N-[(4-methoxyphenyl)methyl]-2-methylcyclopropane-1-carboxamide
SMILESCOc1ccc(CNC(=O)[C@H]2C[C@H]2C)cc1
InChIInChI=1S/C13H17NO2/c1-9-7-12(9)13(15)14-8-10-3-5-11(16-2)6-4-10/h3-6,9,12H,7-8H2,1-2H3,(H,14,15)/t9-,12+/m1/s1
InChIKeyTXRRMTOHYFGEQQ-SKDRFNHKSA-N
XLogP1.97
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-hydroxyphenyl)methyl]-2-methylcyclopropane-1-carboxamide
CID 47148508
N-[[4-(bromomethyl)phenyl]methyl]-2-methylcyclopropane-1-carboxamide
CID 107233713
2-N-butyl-1-N-[(4-methoxyphenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109131241
(2S)-N-benzyl-2-methylcyclopropane-1-carboxamide
CID 164843692
(1R,6R)-6-[(4-methoxyphenyl)methylcarbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylate
CID 6938180
2-N-[(4-methoxyphenyl)methyl]-1-N-phenylcyclopropane-1,2-dicarboxamide
CID 109136562
3-amino-N-[(4-methoxyphenyl)methyl]cyclobutane-1-carboxamide
CID 115161488
N-[(6-methoxy-3-pyridinyl)methyl]-2-methylcyclopropane-1-carboxamide
CID 42930455
trans-(1R,2R)-N-[[4-(dimethylamino)phenyl]methyl]-2-methylcyclopropane-1-carboxamide
CID 25344132
N-[[4-(2-aminoethyl)phenyl]methyl]-2-methylcyclopropane-1-carboxamide
CID 62501487
2-(3-bromophenyl)-N-[(4-methoxyphenyl)methyl]cyclopropane-1-carboxamide
CID 49156347
N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-4-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 48502755

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-N-[(4-methoxyphenyl)methyl]-2-methylcyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2R)-N-[(4-methoxyphenyl)methyl]-2-methylcyclopropane-1-carboxamide (CID 7772441) is cis-(1S,2R)-N-[(4-methoxyphenyl)methyl]-2-methylcyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2R)-N-[(4-methoxyphenyl)methyl]-2-methylcyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2R)-N-[(4-methoxyphenyl)methyl]-2-methylcyclopropane-1-carboxamide is COc1ccc(CNC(=O)[C@H]2C[C@H]2C)cc1.
What is the InChIKey of cis-(1S,2R)-N-[(4-methoxyphenyl)methyl]-2-methylcyclopropane-1-carboxamide?
The InChIKey is TXRRMTOHYFGEQQ-SKDRFNHKSA-N. The full InChI is InChI=1S/C13H17NO2/c1-9-7-12(9)13(15)14-8-10-3-5-11(16-2)6-4-10/h3-6,9,12H,7-8H2,1-2H3,(H,14,15)/t9-,12+/m1/s1.
What are the key properties of cis-(1S,2R)-N-[(4-methoxyphenyl)methyl]-2-methylcyclopropane-1-carboxamide?
cis-(1S,2R)-N-[(4-methoxyphenyl)methyl]-2-methylcyclopropane-1-carboxamide has a molecular weight of 219.28 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-N-[(4-methoxyphenyl)methyl]-2-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 7772441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).