N-[3-[[(4-methoxyphenyl)carbamoylamino]methyl]phenyl]cyclopropanecarboxamide

C19H21N3O3 — CID 30940006

IUPACN-[3-[[(4-methoxyphenyl)carbamoylamino]methyl]phenyl]cyclopropanecarboxamide
SMILESCOc1ccc(NC(=O)NCc2cccc(NC(=O)C3CC3)c2)cc1
InChIInChI=1S/C19H21N3O3/c1-25-17-9-7-15(8-10-17)22-19(24)20-12-13-3-2-4-16(11-13)21-18(23)14-5-6-14/h2-4,7-11,14H,5-6,12H2,1H3,(H,21,23)(H2,20,22,24)
InChIKeySSYISRWVGCXSPX-UHFFFAOYSA-N
MW339.40 g/mol
LogP3.37
Rot. Bonds6

About N-[3-[[(4-methoxyphenyl)carbamoylamino]methyl]phenyl]cyclopropanecarboxamide

N-[3-[[(4-methoxyphenyl)carbamoylamino]methyl]phenyl]cyclopropanecarboxamide (PubChem CID 30940006) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is N-[3-[[(4-methoxyphenyl)carbamoylamino]methyl]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-[[(4-methoxyphenyl)carbamoylamino]methyl]phenyl]cyclopropanecarboxamide
PubChem CID30940006
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC NameN-[3-[[(4-methoxyphenyl)carbamoylamino]methyl]phenyl]cyclopropanecarboxamide
SMILESCOc1ccc(NC(=O)NCc2cccc(NC(=O)C3CC3)c2)cc1
InChIInChI=1S/C19H21N3O3/c1-25-17-9-7-15(8-10-17)22-19(24)20-12-13-3-2-4-16(11-13)21-18(23)14-5-6-14/h2-4,7-11,14H,5-6,12H2,1H3,(H,21,23)(H2,20,22,24)
InChIKeySSYISRWVGCXSPX-UHFFFAOYSA-N
XLogP3.37
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 53.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[[2-(4-methoxyphenyl)ethylcarbamoylamino]methyl]phenyl]cyclopropanecarboxamide
CID 25466004
1-N-[(4-methoxyphenyl)methyl]-4-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109148585
1-N-(4-methoxyphenyl)-4-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109150432
N-[3-[[[N-[(4-methoxyphenyl)methyl]-N'-methylcarbamimidoyl]amino]methyl]phenyl]cyclobutanecarboxamide;hydroiodide
CID 111183227
1-[(4-methoxyphenyl)methyl]-3-[3-[(4-methoxyphenyl)methylcarbamoylamino]phenyl]urea
CID 1243878
N-[3-[[(2-methoxyacetyl)amino]methyl]phenyl]cyclopropanecarboxamide
CID 60703389
N-[3-[(2-methoxypropanoylamino)methyl]phenyl]cyclopropanecarboxamide
CID 47303341
N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]-2,5-dimethoxybenzamide
CID 55894677
N-[3-[(2-methylpropanoylamino)methyl]phenyl]cyclopropanecarboxamide
CID 17398040
4-benzyl-N-(4-methoxyphenyl)cyclohexane-1-carboxamide
CID 121318821
1-[(3,5-dimethoxyphenyl)methyl]-3-(4-methoxyphenyl)urea
CID 23795256
N-[3-[[(2,5-dimethoxyphenyl)methylamino]methyl]phenyl]cyclobutanecarboxamide
CID 55598977

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(4-methoxyphenyl)carbamoylamino]methyl]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[3-[[(4-methoxyphenyl)carbamoylamino]methyl]phenyl]cyclopropanecarboxamide (CID 30940006) is N-[3-[[(4-methoxyphenyl)carbamoylamino]methyl]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-[[(4-methoxyphenyl)carbamoylamino]methyl]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-[[(4-methoxyphenyl)carbamoylamino]methyl]phenyl]cyclopropanecarboxamide is COc1ccc(NC(=O)NCc2cccc(NC(=O)C3CC3)c2)cc1.
What is the InChIKey of N-[3-[[(4-methoxyphenyl)carbamoylamino]methyl]phenyl]cyclopropanecarboxamide?
The InChIKey is SSYISRWVGCXSPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-25-17-9-7-15(8-10-17)22-19(24)20-12-13-3-2-4-16(11-13)21-18(23)14-5-6-14/h2-4,7-11,14H,5-6,12H2,1H3,(H,21,23)(H2,20,22,24).
What are the key properties of N-[3-[[(4-methoxyphenyl)carbamoylamino]methyl]phenyl]cyclopropanecarboxamide?
N-[3-[[(4-methoxyphenyl)carbamoylamino]methyl]phenyl]cyclopropanecarboxamide has a molecular weight of 339.40 g/mol, XLogP of 3.37, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(4-methoxyphenyl)carbamoylamino]methyl]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 30940006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).