N-[2-(4-methoxyphenyl)ethyl]-3,3,3-triphenylpropanamide

C30H29NO2 — CID 11259109

IUPACN-[2-(4-methoxyphenyl)ethyl]-3,3,3-triphenylpropanamide
SMILESCOc1ccc(CCNC(=O)CC(c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C30H29NO2/c1-33-28-19-17-24(18-20-28)21-22-31-29(32)23-30(25-11-5-2-6-12-25,26-13-7-3-8-14-26)27-15-9-4-10-16-27/h2-20H,21-23H2,1H3,(H,31,32)
InChIKeyYYYUTKHVRPFLBF-UHFFFAOYSA-N
MW435.57 g/mol
LogP5.78
Rot. Bonds9

About N-[2-(4-methoxyphenyl)ethyl]-3,3,3-triphenylpropanamide

N-[2-(4-methoxyphenyl)ethyl]-3,3,3-triphenylpropanamide (PubChem CID 11259109) has the molecular formula C30H29NO2 and a molecular weight of 435.57 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-3,3,3-triphenylpropanamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-3,3,3-triphenylpropanamide
PubChem CID11259109
Molecular FormulaC30H29NO2
Molecular Weight435.57 g/mol
Exact Mass435.22
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-3,3,3-triphenylpropanamide
SMILESCOc1ccc(CCNC(=O)CC(c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C30H29NO2/c1-33-28-19-17-24(18-20-28)21-22-31-29(32)23-30(25-11-5-2-6-12-25,26-13-7-3-8-14-26)27-15-9-4-10-16-27/h2-20H,21-23H2,1H3,(H,31,32)
InChIKeyYYYUTKHVRPFLBF-UHFFFAOYSA-N
XLogP5.78
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.57
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-methoxyphenyl)ethyl]-3,3-dimethylhexanamide
CID 166921561
N-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]-2-phenylacetamide
CID 27548820
N-[2-(4-methoxyphenyl)ethyl]-N'-phenylpropanediamide
CID 108948790
4-[2-[[2-(4-methoxyphenyl)acetyl]amino]ethyl]benzoic acid
CID 45347528
2,2,2-tris(4-methoxyphenyl)-N-(2-phenylethyl)acetamide
CID 44563474
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-[(2-phenylacetyl)amino]acetate
CID 40692952
3-amino-N-[2-(4-methoxyphenyl)ethyl]-3-phenylpropanamide;hydrochloride
CID 119948729
N-[2-(4-methoxyphenyl)ethyl]-N'-methyl-N'-phenylpropanediamide
CID 108948794
N-[2-(4-methoxyphenyl)ethyl]-2-(phenylcarbamoylamino)acetamide
CID 42158481
2-[[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]amino]-2-methylpropanoic acid
CID 65264125
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 3,3-diphenylpropanoate
CID 8752538
tert-butyl N-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]-N-[2-oxo-2-(2-phenylethylamino)ethyl]carbamate
CID 10742955

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-3,3,3-triphenylpropanamide?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-3,3,3-triphenylpropanamide (CID 11259109) is N-[2-(4-methoxyphenyl)ethyl]-3,3,3-triphenylpropanamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-3,3,3-triphenylpropanamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-3,3,3-triphenylpropanamide is COc1ccc(CCNC(=O)CC(c2ccccc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-3,3,3-triphenylpropanamide?
The InChIKey is YYYUTKHVRPFLBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29NO2/c1-33-28-19-17-24(18-20-28)21-22-31-29(32)23-30(25-11-5-2-6-12-25,26-13-7-3-8-14-26)27-15-9-4-10-16-27/h2-20H,21-23H2,1H3,(H,31,32).
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-3,3,3-triphenylpropanamide?
N-[2-(4-methoxyphenyl)ethyl]-3,3,3-triphenylpropanamide has a molecular weight of 435.57 g/mol, XLogP of 5.78, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-3,3,3-triphenylpropanamide is sourced from PubChem (CID 11259109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).