trans-(1R,2R)-N-[[4-(dimethylamino)phenyl]methyl]-2-methylcyclopropane-1-carboxamide

C14H20N2O — CID 25344132

IUPACtrans-(1R,2R)-N-[[4-(dimethylamino)phenyl]methyl]-2-methylcyclopropane-1-carboxamide
SMILESC[C@@H]1C[C@H]1C(=O)NCc1ccc(N(C)C)cc1
InChIInChI=1S/C14H20N2O/c1-10-8-13(10)14(17)15-9-11-4-6-12(7-5-11)16(2)3/h4-7,10,13H,8-9H2,1-3H3,(H,15,17)/t10-,13-/m1/s1
InChIKeyDWBXUSXXASDCEB-ZWNOBZJWSA-N
MW232.33 g/mol
LogP2.02
Rot. Bonds4

About trans-(1R,2R)-N-[[4-(dimethylamino)phenyl]methyl]-2-methylcyclopropane-1-carboxamide

trans-(1R,2R)-N-[[4-(dimethylamino)phenyl]methyl]-2-methylcyclopropane-1-carboxamide (PubChem CID 25344132) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is trans-(1R,2R)-N-[[4-(dimethylamino)phenyl]methyl]-2-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-N-[[4-(dimethylamino)phenyl]methyl]-2-methylcyclopropane-1-carboxamide
PubChem CID25344132
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Nametrans-(1R,2R)-N-[[4-(dimethylamino)phenyl]methyl]-2-methylcyclopropane-1-carboxamide
SMILESC[C@@H]1C[C@H]1C(=O)NCc1ccc(N(C)C)cc1
InChIInChI=1S/C14H20N2O/c1-10-8-13(10)14(17)15-9-11-4-6-12(7-5-11)16(2)3/h4-7,10,13H,8-9H2,1-3H3,(H,15,17)/t10-,13-/m1/s1
InChIKeyDWBXUSXXASDCEB-ZWNOBZJWSA-N
XLogP2.02
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-[(4-hydroxyphenyl)methyl]-2-methylcyclopropane-1-carboxamide
CID 47148508
(1R,2S,4S)-N-[[4-(dimethylamino)phenyl]methyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 98416971
N-[[4-(bromomethyl)phenyl]methyl]-2-methylcyclopropane-1-carboxamide
CID 107233713
(2S)-N-benzyl-2-methylcyclopropane-1-carboxamide
CID 164843692
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
N-methyl-4-[[(2-methylcyclopropanecarbonyl)amino]methyl]benzamide
CID 42953153
trans-(1R,2R)-2-methyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]cyclopropane-1-carboxamide
CID 31592161
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
1-amino-N-[[4-(dimethylamino)phenyl]methyl]cyclobutane-1-carboxamide
CID 81171925
2-[[4-(dimethylcarbamoyl)phenyl]methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120974686

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-N-[[4-(dimethylamino)phenyl]methyl]-2-methylcyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-N-[[4-(dimethylamino)phenyl]methyl]-2-methylcyclopropane-1-carboxamide (CID 25344132) is trans-(1R,2R)-N-[[4-(dimethylamino)phenyl]methyl]-2-methylcyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-N-[[4-(dimethylamino)phenyl]methyl]-2-methylcyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-N-[[4-(dimethylamino)phenyl]methyl]-2-methylcyclopropane-1-carboxamide is C[C@@H]1C[C@H]1C(=O)NCc1ccc(N(C)C)cc1.
What is the InChIKey of trans-(1R,2R)-N-[[4-(dimethylamino)phenyl]methyl]-2-methylcyclopropane-1-carboxamide?
The InChIKey is DWBXUSXXASDCEB-ZWNOBZJWSA-N. The full InChI is InChI=1S/C14H20N2O/c1-10-8-13(10)14(17)15-9-11-4-6-12(7-5-11)16(2)3/h4-7,10,13H,8-9H2,1-3H3,(H,15,17)/t10-,13-/m1/s1.
What are the key properties of trans-(1R,2R)-N-[[4-(dimethylamino)phenyl]methyl]-2-methylcyclopropane-1-carboxamide?
trans-(1R,2R)-N-[[4-(dimethylamino)phenyl]methyl]-2-methylcyclopropane-1-carboxamide has a molecular weight of 232.33 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-N-[[4-(dimethylamino)phenyl]methyl]-2-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 25344132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).