trans-(1R,2R)-N-[3-[(2-methoxyacetyl)amino]phenyl]-2-methylcyclopropane-1-carboxamide

C14H18N2O3 — CID 38397427

IUPACtrans-(1R,2R)-N-[3-[(2-methoxyacetyl)amino]phenyl]-2-methylcyclopropane-1-carboxamide
SMILESCOCC(=O)Nc1cccc(NC(=O)[C@@H]2C[C@H]2C)c1
InChIInChI=1S/C14H18N2O3/c1-9-6-12(9)14(18)16-11-5-3-4-10(7-11)15-13(17)8-19-2/h3-5,7,9,12H,6,8H2,1-2H3,(H,15,17)(H,16,18)/t9-,12-/m1/s1
InChIKeyYEFPTIGCZRIQQC-BXKDBHETSA-N
MW262.31 g/mol
LogP1.87
Rot. Bonds5

About trans-(1R,2R)-N-[3-[(2-methoxyacetyl)amino]phenyl]-2-methylcyclopropane-1-carboxamide

trans-(1R,2R)-N-[3-[(2-methoxyacetyl)amino]phenyl]-2-methylcyclopropane-1-carboxamide (PubChem CID 38397427) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is trans-(1R,2R)-N-[3-[(2-methoxyacetyl)amino]phenyl]-2-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-N-[3-[(2-methoxyacetyl)amino]phenyl]-2-methylcyclopropane-1-carboxamide
PubChem CID38397427
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Nametrans-(1R,2R)-N-[3-[(2-methoxyacetyl)amino]phenyl]-2-methylcyclopropane-1-carboxamide
SMILESCOCC(=O)Nc1cccc(NC(=O)[C@@H]2C[C@H]2C)c1
InChIInChI=1S/C14H18N2O3/c1-9-6-12(9)14(18)16-11-5-3-4-10(7-11)15-13(17)8-19-2/h3-5,7,9,12H,6,8H2,1-2H3,(H,15,17)(H,16,18)/t9-,12-/m1/s1
InChIKeyYEFPTIGCZRIQQC-BXKDBHETSA-N
XLogP1.87
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[(2-methoxyacetyl)amino]phenyl]cyclohexanecarboxamide
CID 47022982
trans-[2-(3-acetamidoanilino)-2-oxoethyl] (1S,2S)-2-methylcyclopropane-1-carboxylate
CID 7776746
2-methoxy-N-[3-[(2-methylcyclohexyl)amino]phenyl]acetamide
CID 43713084
2-methoxy-N-[3-[[2-[(1R,2R)-2-methylcyclohexyl]oxyacetyl]amino]phenyl]acetamide
CID 96532685
2-methoxy-N-[3-[[2-[(1S,2S)-2-methylcyclohexyl]oxyacetyl]amino]phenyl]acetamide
CID 96532684
2-methoxy-N-[3-[[2-[(1S,2R)-2-methylcyclohexyl]oxyacetyl]amino]phenyl]acetamide
CID 96532683
(2R)-N-[3-[(2-methoxyacetyl)amino]phenyl]oxolane-2-carboxamide
CID 38396649
trans-(1R,2R)-N-(3-acetylphenyl)-2-methylcyclopropane-1-carboxamide
CID 2111342
N-(3-aminophenyl)-2-methoxyacetamide
CID 11137720
N-[3-(1-cyclopropylethylamino)phenyl]-2-methoxyacetamide
CID 43713200
[2-(3-iodoanilino)-2-oxoethyl] 2-methylcyclopropane-1-carboxylate
CID 23912620
N-(3-tert-butylphenyl)-2-methoxyacetamide
CID 59139856

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-N-[3-[(2-methoxyacetyl)amino]phenyl]-2-methylcyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-N-[3-[(2-methoxyacetyl)amino]phenyl]-2-methylcyclopropane-1-carboxamide (CID 38397427) is trans-(1R,2R)-N-[3-[(2-methoxyacetyl)amino]phenyl]-2-methylcyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-N-[3-[(2-methoxyacetyl)amino]phenyl]-2-methylcyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-N-[3-[(2-methoxyacetyl)amino]phenyl]-2-methylcyclopropane-1-carboxamide is COCC(=O)Nc1cccc(NC(=O)[C@@H]2C[C@H]2C)c1.
What is the InChIKey of trans-(1R,2R)-N-[3-[(2-methoxyacetyl)amino]phenyl]-2-methylcyclopropane-1-carboxamide?
The InChIKey is YEFPTIGCZRIQQC-BXKDBHETSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-9-6-12(9)14(18)16-11-5-3-4-10(7-11)15-13(17)8-19-2/h3-5,7,9,12H,6,8H2,1-2H3,(H,15,17)(H,16,18)/t9-,12-/m1/s1.
What are the key properties of trans-(1R,2R)-N-[3-[(2-methoxyacetyl)amino]phenyl]-2-methylcyclopropane-1-carboxamide?
trans-(1R,2R)-N-[3-[(2-methoxyacetyl)amino]phenyl]-2-methylcyclopropane-1-carboxamide has a molecular weight of 262.31 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-N-[3-[(2-methoxyacetyl)amino]phenyl]-2-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 38397427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).