N-[1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]-2-methylcyclopropane-1-carboxamide

C21H25NO3 — CID 47063290

IUPACN-[1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]-2-methylcyclopropane-1-carboxamide
SMILESCOc1cc(C(C)NC(=O)C2CC2C)ccc1OCc1ccccc1
InChIInChI=1S/C21H25NO3/c1-14-11-18(14)21(23)22-15(2)17-9-10-19(20(12-17)24-3)25-13-16-7-5-4-6-8-16/h4-10,12,14-15,18H,11,13H2,1-3H3,(H,22,23)
InChIKeyXDHQWOVMKLHIBX-UHFFFAOYSA-N
MW339.44 g/mol
LogP4.11
Rot. Bonds7

About N-[1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]-2-methylcyclopropane-1-carboxamide

N-[1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]-2-methylcyclopropane-1-carboxamide (PubChem CID 47063290) has the molecular formula C21H25NO3 and a molecular weight of 339.44 g/mol. Its IUPAC name is N-[1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]-2-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]-2-methylcyclopropane-1-carboxamide
PubChem CID47063290
Molecular FormulaC21H25NO3
Molecular Weight339.44 g/mol
Exact Mass339.18
IUPAC NameN-[1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]-2-methylcyclopropane-1-carboxamide
SMILESCOc1cc(C(C)NC(=O)C2CC2C)ccc1OCc1ccccc1
InChIInChI=1S/C21H25NO3/c1-14-11-18(14)21(23)22-15(2)17-9-10-19(20(12-17)24-3)25-13-16-7-5-4-6-8-16/h4-10,12,14-15,18H,11,13H2,1-3H3,(H,22,23)
InChIKeyXDHQWOVMKLHIBX-UHFFFAOYSA-N
XLogP4.11
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]piperidine-3-carboxamide
CID 119288240
trans-(1R,2R)-2-[[(1S)-1-(3-methoxy-4-propoxyphenyl)ethyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 124857094
cis-(1S,2R)-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-2-methylcyclopropane-1-carboxamide
CID 51708004
2-amino-3-methoxy-N-[1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]propanamide;hydrochloride
CID 120986679
4-amino-N-[1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]butanamide
CID 119288244
2-[1-(3-methoxy-4-pentoxyphenyl)ethylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120974995
3-amino-N-[1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]pyrazine-2-carboxamide
CID 47067149
4-methoxy-N-[1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]piperidine-4-carboxamide;hydrochloride
CID 119721259
(1S)-1-(3-methoxy-4-phenylmethoxyphenyl)ethanol
CID 63364701
2-amino-N-[1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]-2-methylpentanamide;hydrochloride
CID 119721271
1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(1-phenylethyl)piperidine-4-carboxamide
CID 3914392
2-[1-(3,4-diethoxyphenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 119181484

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]-2-methylcyclopropane-1-carboxamide?
The IUPAC name of N-[1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]-2-methylcyclopropane-1-carboxamide (CID 47063290) is N-[1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]-2-methylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]-2-methylcyclopropane-1-carboxamide?
The canonical SMILES for N-[1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]-2-methylcyclopropane-1-carboxamide is COc1cc(C(C)NC(=O)C2CC2C)ccc1OCc1ccccc1.
What is the InChIKey of N-[1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]-2-methylcyclopropane-1-carboxamide?
The InChIKey is XDHQWOVMKLHIBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO3/c1-14-11-18(14)21(23)22-15(2)17-9-10-19(20(12-17)24-3)25-13-16-7-5-4-6-8-16/h4-10,12,14-15,18H,11,13H2,1-3H3,(H,22,23).
What are the key properties of N-[1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]-2-methylcyclopropane-1-carboxamide?
N-[1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]-2-methylcyclopropane-1-carboxamide has a molecular weight of 339.44 g/mol, XLogP of 4.11, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]-2-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 47063290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).