N-[4-(cyanomethoxy)phenyl]-3-(4-methoxyphenyl)propanamide

C18H18N2O3 — CID 30873501

IUPACN-[4-(cyanomethoxy)phenyl]-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)Nc2ccc(OCC#N)cc2)cc1
InChIInChI=1S/C18H18N2O3/c1-22-16-7-2-14(3-8-16)4-11-18(21)20-15-5-9-17(10-6-15)23-13-12-19/h2-3,5-10H,4,11,13H2,1H3,(H,20,21)
InChIKeyFDDXMEYULVNLOA-UHFFFAOYSA-N
MW310.35 g/mol
LogP3.17
Rot. Bonds7

About N-[4-(cyanomethoxy)phenyl]-3-(4-methoxyphenyl)propanamide

N-[4-(cyanomethoxy)phenyl]-3-(4-methoxyphenyl)propanamide (PubChem CID 30873501) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is N-[4-(cyanomethoxy)phenyl]-3-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[4-(cyanomethoxy)phenyl]-3-(4-methoxyphenyl)propanamide
PubChem CID30873501
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC NameN-[4-(cyanomethoxy)phenyl]-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)Nc2ccc(OCC#N)cc2)cc1
InChIInChI=1S/C18H18N2O3/c1-22-16-7-2-14(3-8-16)4-11-18(21)20-15-5-9-17(10-6-15)23-13-12-19/h2-3,5-10H,4,11,13H2,1H3,(H,20,21)
InChIKeyFDDXMEYULVNLOA-UHFFFAOYSA-N
XLogP3.17
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(chloromethyl)phenyl]-3-(4-methoxyphenyl)propanamide
CID 114299962
3-(4-methoxyphenyl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]propanamide
CID 46674282
N-[4-(cyanomethoxy)phenyl]-2-(3-methoxyphenyl)acetamide
CID 30874438
3-(4-methoxyphenyl)-N-(4-propan-2-yloxyphenyl)propanamide
CID 19221042
N-(5-cyano-2-pyridinyl)-3-(4-methoxyphenyl)propanamide
CID 62353143
2-bromo-N-[4-(cyanomethoxy)phenyl]acetamide
CID 63679924
2-[[2-[4-[3-(4-methoxyphenyl)propanoylamino]phenyl]acetyl]amino]acetic acid
CID 119224448
N-(4-methoxyphenyl)-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 27228930
6-amino-N-[4-(cyanomethoxy)phenyl]hexanamide
CID 61249827
N-[4-(dimethylsulfamoyl)phenyl]-3-(4-methoxyphenyl)propanamide
CID 2440554
3-amino-N-[4-(cyanomethoxy)phenyl]butanamide
CID 61248145
3-(4-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)propanamide
CID 7741638

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyanomethoxy)phenyl]-3-(4-methoxyphenyl)propanamide?
The IUPAC name of N-[4-(cyanomethoxy)phenyl]-3-(4-methoxyphenyl)propanamide (CID 30873501) is N-[4-(cyanomethoxy)phenyl]-3-(4-methoxyphenyl)propanamide.
What is the SMILES notation for N-[4-(cyanomethoxy)phenyl]-3-(4-methoxyphenyl)propanamide?
The canonical SMILES for N-[4-(cyanomethoxy)phenyl]-3-(4-methoxyphenyl)propanamide is COc1ccc(CCC(=O)Nc2ccc(OCC#N)cc2)cc1.
What is the InChIKey of N-[4-(cyanomethoxy)phenyl]-3-(4-methoxyphenyl)propanamide?
The InChIKey is FDDXMEYULVNLOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-22-16-7-2-14(3-8-16)4-11-18(21)20-15-5-9-17(10-6-15)23-13-12-19/h2-3,5-10H,4,11,13H2,1H3,(H,20,21).
What are the key properties of N-[4-(cyanomethoxy)phenyl]-3-(4-methoxyphenyl)propanamide?
N-[4-(cyanomethoxy)phenyl]-3-(4-methoxyphenyl)propanamide has a molecular weight of 310.35 g/mol, XLogP of 3.17, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyanomethoxy)phenyl]-3-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 30873501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).