N-[3-[[(2-methoxyacetyl)amino]methyl]phenyl]cyclopropanecarboxamide

C14H18N2O3 — CID 60703389

IUPACN-[3-[[(2-methoxyacetyl)amino]methyl]phenyl]cyclopropanecarboxamide
SMILESCOCC(=O)NCc1cccc(NC(=O)C2CC2)c1
InChIInChI=1S/C14H18N2O3/c1-19-9-13(17)15-8-10-3-2-4-12(7-10)16-14(18)11-5-6-11/h2-4,7,11H,5-6,8-9H2,1H3,(H,15,17)(H,16,18)
InChIKeyAPEWPDJAVKOOOX-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.30
Rot. Bonds6

About N-[3-[[(2-methoxyacetyl)amino]methyl]phenyl]cyclopropanecarboxamide

N-[3-[[(2-methoxyacetyl)amino]methyl]phenyl]cyclopropanecarboxamide (PubChem CID 60703389) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is N-[3-[[(2-methoxyacetyl)amino]methyl]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-[[(2-methoxyacetyl)amino]methyl]phenyl]cyclopropanecarboxamide
PubChem CID60703389
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC NameN-[3-[[(2-methoxyacetyl)amino]methyl]phenyl]cyclopropanecarboxamide
SMILESCOCC(=O)NCc1cccc(NC(=O)C2CC2)c1
InChIInChI=1S/C14H18N2O3/c1-19-9-13(17)15-8-10-3-2-4-12(7-10)16-14(18)11-5-6-11/h2-4,7,11H,5-6,8-9H2,1H3,(H,15,17)(H,16,18)
InChIKeyAPEWPDJAVKOOOX-UHFFFAOYSA-N
XLogP1.30
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[(2-methoxypropanoylamino)methyl]phenyl]cyclopropanecarboxamide
CID 47303341
N-[3-[[3-(4-ethylphenyl)propanoylamino]methyl]phenyl]cyclopropanecarboxamide
CID 46420384
N-[3-[[[2-(4-butylphenyl)acetyl]amino]methyl]phenyl]cyclopropanecarboxamide
CID 24566999
N-[3-[(2-methylpropanoylamino)methyl]phenyl]cyclopropanecarboxamide
CID 17398040
N-[3-[[(4-methoxyphenyl)carbamoylamino]methyl]phenyl]cyclopropanecarboxamide
CID 30940006
N-[3-[(3,3-diphenylpropanoylamino)methyl]phenyl]cyclopropanecarboxamide
CID 29303854
N-[3-[(2-methoxyacetyl)amino]phenyl]cyclohexanecarboxamide
CID 47022982
N-[3-[[2-(4-methoxyphenyl)ethylcarbamoylamino]methyl]phenyl]cyclopropanecarboxamide
CID 25466004
N-[3-[[[(2R)-2-methylbutanoyl]amino]methyl]phenyl]cyclopropanecarboxamide
CID 30291694
[3-[2-[[3-(cyclopropanecarbonylamino)phenyl]methylamino]-2-oxoethoxy]-2-formylphenyl]boronic acid
CID 166428787
N-[3-[[[2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetyl]amino]methyl]phenyl]cyclopropanecarboxamide
CID 51672103
methyl 4-[[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]methyl]benzoate
CID 46411540

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(2-methoxyacetyl)amino]methyl]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[3-[[(2-methoxyacetyl)amino]methyl]phenyl]cyclopropanecarboxamide (CID 60703389) is N-[3-[[(2-methoxyacetyl)amino]methyl]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-[[(2-methoxyacetyl)amino]methyl]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-[[(2-methoxyacetyl)amino]methyl]phenyl]cyclopropanecarboxamide is COCC(=O)NCc1cccc(NC(=O)C2CC2)c1.
What is the InChIKey of N-[3-[[(2-methoxyacetyl)amino]methyl]phenyl]cyclopropanecarboxamide?
The InChIKey is APEWPDJAVKOOOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-19-9-13(17)15-8-10-3-2-4-12(7-10)16-14(18)11-5-6-11/h2-4,7,11H,5-6,8-9H2,1H3,(H,15,17)(H,16,18).
What are the key properties of N-[3-[[(2-methoxyacetyl)amino]methyl]phenyl]cyclopropanecarboxamide?
N-[3-[[(2-methoxyacetyl)amino]methyl]phenyl]cyclopropanecarboxamide has a molecular weight of 262.31 g/mol, XLogP of 1.30, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(2-methoxyacetyl)amino]methyl]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 60703389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).