N-[2-[4-[(4-methoxyphenyl)methoxy]phenyl]ethyl]prop-2-enamide

C19H21NO3 — CID 177306579

IUPACN-[2-[4-[(4-methoxyphenyl)methoxy]phenyl]ethyl]prop-2-enamide
SMILESC=CC(=O)NCCc1ccc(OCc2ccc(OC)cc2)cc1
InChIInChI=1S/C19H21NO3/c1-3-19(21)20-13-12-15-4-10-18(11-5-15)23-14-16-6-8-17(22-2)9-7-16/h3-11H,1,12-14H2,2H3,(H,20,21)
InChIKeyQRLIWPLLGCQFMV-UHFFFAOYSA-N
MW311.38 g/mol
LogP3.12
Rot. Bonds8

About N-[2-[4-[(4-methoxyphenyl)methoxy]phenyl]ethyl]prop-2-enamide

N-[2-[4-[(4-methoxyphenyl)methoxy]phenyl]ethyl]prop-2-enamide (PubChem CID 177306579) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is N-[2-[4-[(4-methoxyphenyl)methoxy]phenyl]ethyl]prop-2-enamide.

Molecular Properties

Compound NameN-[2-[4-[(4-methoxyphenyl)methoxy]phenyl]ethyl]prop-2-enamide
PubChem CID177306579
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC NameN-[2-[4-[(4-methoxyphenyl)methoxy]phenyl]ethyl]prop-2-enamide
SMILESC=CC(=O)NCCc1ccc(OCc2ccc(OC)cc2)cc1
InChIInChI=1S/C19H21NO3/c1-3-19(21)20-13-12-15-4-10-18(11-5-15)23-14-16-6-8-17(22-2)9-7-16/h3-11H,1,12-14H2,2H3,(H,20,21)
InChIKeyQRLIWPLLGCQFMV-UHFFFAOYSA-N
XLogP3.12
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-[2-[4-[(4-methoxyphenyl)methoxy]phenyl]ethyl]prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(4-nonylphenoxy)ethyl]prop-2-enamide
CID 134245011
4-chloro-N-[2-(4-methoxyphenyl)ethyl]butanamide
CID 3613637
N-[2-[3,5-bis[(4-methoxyphenyl)methoxy]phenyl]ethyl]-2,2,2-trifluoroacetamide
CID 53465746
(4-methoxyphenyl)methyl N-(2-phenylethyl)carbamate
CID 59492005
(2R)-2-hydroxy-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 175743514
1-[2-(4-methoxyphenyl)ethyl]-3-prop-1-en-2-ylurea
CID 108910187
4-hydroxy-N-[2-(4-methoxyphenyl)ethyl]butanamide
CID 79017762
tert-butyl 2-[4-[2-(prop-2-enoylamino)ethyl]phenyl]acetate
CID 159935899
methyl 4-[2-[[2-(4-methoxyphenoxy)acetyl]amino]ethyl]benzoate
CID 36774109
1-[2-(4-methoxyphenyl)ethyl]-3-[2-(4-methylphenoxy)ethyl]urea
CID 112970038
4-(methylamino)-N-[2-(4-phenylmethoxyphenyl)ethyl]butanamide
CID 119735749
1-N,1-N'-bis[2-(4-methoxyphenyl)ethyl]cyclopropane-1,1-dicarboxamide
CID 108977727

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[(4-methoxyphenyl)methoxy]phenyl]ethyl]prop-2-enamide?
The IUPAC name of N-[2-[4-[(4-methoxyphenyl)methoxy]phenyl]ethyl]prop-2-enamide (CID 177306579) is N-[2-[4-[(4-methoxyphenyl)methoxy]phenyl]ethyl]prop-2-enamide.
What is the SMILES notation for N-[2-[4-[(4-methoxyphenyl)methoxy]phenyl]ethyl]prop-2-enamide?
The canonical SMILES for N-[2-[4-[(4-methoxyphenyl)methoxy]phenyl]ethyl]prop-2-enamide is C=CC(=O)NCCc1ccc(OCc2ccc(OC)cc2)cc1.
What is the InChIKey of N-[2-[4-[(4-methoxyphenyl)methoxy]phenyl]ethyl]prop-2-enamide?
The InChIKey is QRLIWPLLGCQFMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3/c1-3-19(21)20-13-12-15-4-10-18(11-5-15)23-14-16-6-8-17(22-2)9-7-16/h3-11H,1,12-14H2,2H3,(H,20,21).
What are the key properties of N-[2-[4-[(4-methoxyphenyl)methoxy]phenyl]ethyl]prop-2-enamide?
N-[2-[4-[(4-methoxyphenyl)methoxy]phenyl]ethyl]prop-2-enamide has a molecular weight of 311.38 g/mol, XLogP of 3.12, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[(4-methoxyphenyl)methoxy]phenyl]ethyl]prop-2-enamide is sourced from PubChem (CID 177306579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).