2-[[(E)-3-(4-phenylmethoxyphenyl)prop-2-enoyl]amino]-N-propylpropanamide

C22H26N2O3 — CID 46819695

IUPAC2-[[(E)-3-(4-phenylmethoxyphenyl)prop-2-enoyl]amino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)NC(=O)/C=C/c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C22H26N2O3/c1-3-15-23-22(26)17(2)24-21(25)14-11-18-9-12-20(13-10-18)27-16-19-7-5-4-6-8-19/h4-14,17H,3,15-16H2,1-2H3,(H,23,26)(H,24,25)/b14-11+
InChIKeyMLEYDQDXTJKIRT-SDNWHVSQSA-N
MW366.46 g/mol
LogP3.31
Rot. Bonds9

About 2-[[(E)-3-(4-phenylmethoxyphenyl)prop-2-enoyl]amino]-N-propylpropanamide

2-[[(E)-3-(4-phenylmethoxyphenyl)prop-2-enoyl]amino]-N-propylpropanamide (PubChem CID 46819695) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is 2-[[(E)-3-(4-phenylmethoxyphenyl)prop-2-enoyl]amino]-N-propylpropanamide.

Molecular Properties

Compound Name2-[[(E)-3-(4-phenylmethoxyphenyl)prop-2-enoyl]amino]-N-propylpropanamide
PubChem CID46819695
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name2-[[(E)-3-(4-phenylmethoxyphenyl)prop-2-enoyl]amino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)NC(=O)/C=C/c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C22H26N2O3/c1-3-15-23-22(26)17(2)24-21(25)14-11-18-9-12-20(13-10-18)27-16-19-7-5-4-6-8-19/h4-14,17H,3,15-16H2,1-2H3,(H,23,26)(H,24,25)/b14-11+
InChIKeyMLEYDQDXTJKIRT-SDNWHVSQSA-N
XLogP3.31
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-[[(E)-3-[4-(difluoromethoxy)phenyl]prop-2-enoyl]amino]-N-propylpropanamide
CID 7993031
(2R)-2-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]amino]-N-ethylpropanamide
CID 8752123
N-(2-hydroxyethyl)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide
CID 110877634
(E)-N-[2-(4-methylphenoxy)ethyl]-3-(4-phenylmethoxyphenyl)prop-2-enamide
CID 19175905
[1-oxo-1-(propan-2-ylamino)propan-2-yl] (E)-3-(4-phenylmethoxyphenyl)prop-2-enoate
CID 55365994
2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-N-(4-phenylbutan-2-yl)propanamide
CID 51157915
2-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]-N-propylpropanamide
CID 46819652
N-(4-ethylphenyl)-3-(4-phenylmethoxyphenyl)prop-2-enamide
CID 3591323
(1E,4E)-1,5-bis(4-phenylmethoxyphenyl)penta-1,4-dien-3-one
CID 6475153
N-[(4-methoxyphenyl)methyl]-2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]propanamide
CID 18162307
N-(2,6-dimethylphenyl)-3-(4-phenylmethoxyphenyl)prop-2-enamide
CID 3591319
N-[2-(2-methoxyphenoxy)ethyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide
CID 51161276

Frequently Asked Questions

What is the IUPAC name of 2-[[(E)-3-(4-phenylmethoxyphenyl)prop-2-enoyl]amino]-N-propylpropanamide?
The IUPAC name of 2-[[(E)-3-(4-phenylmethoxyphenyl)prop-2-enoyl]amino]-N-propylpropanamide (CID 46819695) is 2-[[(E)-3-(4-phenylmethoxyphenyl)prop-2-enoyl]amino]-N-propylpropanamide.
What is the SMILES notation for 2-[[(E)-3-(4-phenylmethoxyphenyl)prop-2-enoyl]amino]-N-propylpropanamide?
The canonical SMILES for 2-[[(E)-3-(4-phenylmethoxyphenyl)prop-2-enoyl]amino]-N-propylpropanamide is CCCNC(=O)C(C)NC(=O)/C=C/c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 2-[[(E)-3-(4-phenylmethoxyphenyl)prop-2-enoyl]amino]-N-propylpropanamide?
The InChIKey is MLEYDQDXTJKIRT-SDNWHVSQSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-3-15-23-22(26)17(2)24-21(25)14-11-18-9-12-20(13-10-18)27-16-19-7-5-4-6-8-19/h4-14,17H,3,15-16H2,1-2H3,(H,23,26)(H,24,25)/b14-11+.
What are the key properties of 2-[[(E)-3-(4-phenylmethoxyphenyl)prop-2-enoyl]amino]-N-propylpropanamide?
2-[[(E)-3-(4-phenylmethoxyphenyl)prop-2-enoyl]amino]-N-propylpropanamide has a molecular weight of 366.46 g/mol, XLogP of 3.31, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(E)-3-(4-phenylmethoxyphenyl)prop-2-enoyl]amino]-N-propylpropanamide is sourced from PubChem (CID 46819695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).