N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]cyclopropanecarboxamide

C19H21NO3 — CID 9325326

IUPACN-[(3-methoxy-4-phenylmethoxyphenyl)methyl]cyclopropanecarboxamide
SMILESCOc1cc(CNC(=O)C2CC2)ccc1OCc1ccccc1
InChIInChI=1S/C19H21NO3/c1-22-18-11-15(12-20-19(21)16-8-9-16)7-10-17(18)23-13-14-5-3-2-4-6-14/h2-7,10-11,16H,8-9,12-13H2,1H3,(H,20,21)
InChIKeyHUMNKFMPRZAWCO-UHFFFAOYSA-N
MW311.38 g/mol
LogP3.30
Rot. Bonds7

About N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]cyclopropanecarboxamide

N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]cyclopropanecarboxamide (PubChem CID 9325326) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(3-methoxy-4-phenylmethoxyphenyl)methyl]cyclopropanecarboxamide
PubChem CID9325326
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC NameN-[(3-methoxy-4-phenylmethoxyphenyl)methyl]cyclopropanecarboxamide
SMILESCOc1cc(CNC(=O)C2CC2)ccc1OCc1ccccc1
InChIInChI=1S/C19H21NO3/c1-22-18-11-15(12-20-19(21)16-8-9-16)7-10-17(18)23-13-14-5-3-2-4-6-14/h2-7,10-11,16H,8-9,12-13H2,1H3,(H,20,21)
InChIKeyHUMNKFMPRZAWCO-UHFFFAOYSA-N
XLogP3.30
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 4-[(3-methoxy-4-phenylmethoxyphenyl)methylcarbamoyl]piperidine-1-carboxylate
CID 66587122
1-N,4-N-bis[(3-methoxy-4-propoxyphenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 54777189
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]butanamide
CID 27865842
4-N-cyclopropyl-1-N-[(3,4-dimethoxyphenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109144703
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1-phenylcyclopropane-1-carboxamide
CID 33042340
2-(diethylamino)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]acetamide
CID 86908679
4-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]-4-oxobutanoate
CID 9151302
2-(4-methoxyphenyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]acetamide
CID 27865855
(2R,3S)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-methylmorpholine-3-carboxamide
CID 120919539
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-[(2S)-2-methylpiperidin-1-yl]acetamide
CID 8623456
4-[(4-methoxy-3-phenylmethoxyphenyl)methylamino]cyclohexane-1-carboxylic acid
CID 120509612
N-[(3-amino-4-methoxyphenyl)methyl]cyclopropanecarboxamide
CID 60972239

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]cyclopropanecarboxamide?
The IUPAC name of N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]cyclopropanecarboxamide (CID 9325326) is N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]cyclopropanecarboxamide?
The canonical SMILES for N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]cyclopropanecarboxamide is COc1cc(CNC(=O)C2CC2)ccc1OCc1ccccc1.
What is the InChIKey of N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]cyclopropanecarboxamide?
The InChIKey is HUMNKFMPRZAWCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3/c1-22-18-11-15(12-20-19(21)16-8-9-16)7-10-17(18)23-13-14-5-3-2-4-6-14/h2-7,10-11,16H,8-9,12-13H2,1H3,(H,20,21).
What are the key properties of N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]cyclopropanecarboxamide?
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]cyclopropanecarboxamide has a molecular weight of 311.38 g/mol, XLogP of 3.30, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]cyclopropanecarboxamide is sourced from PubChem (CID 9325326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).