N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]-3-(2-hydroxyphenyl)-3-phenylpropanamide

C29H33NO4 — CID 2870147

IUPACN-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]-3-(2-hydroxyphenyl)-3-phenylpropanamide
SMILESCOc1ccc(C2(CNC(=O)CC(c3ccccc3)c3ccccc3O)CCCC2)cc1OC
InChIInChI=1S/C29H33NO4/c1-33-26-15-14-22(18-27(26)34-2)29(16-8-9-17-29)20-30-28(32)19-24(21-10-4-3-5-11-21)23-12-6-7-13-25(23)31/h3-7,10-15,18,24,31H,8-9,16-17,19-20H2,1-2H3,(H,30,32)
InChIKeyVMUDRSYQWOQWAR-UHFFFAOYSA-N
MW459.59 g/mol
LogP5.56
Rot. Bonds9

About N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]-3-(2-hydroxyphenyl)-3-phenylpropanamide

N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]-3-(2-hydroxyphenyl)-3-phenylpropanamide (PubChem CID 2870147) has the molecular formula C29H33NO4 and a molecular weight of 459.59 g/mol. Its IUPAC name is N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]-3-(2-hydroxyphenyl)-3-phenylpropanamide.

Molecular Properties

Compound NameN-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]-3-(2-hydroxyphenyl)-3-phenylpropanamide
PubChem CID2870147
Molecular FormulaC29H33NO4
Molecular Weight459.59 g/mol
Exact Mass459.24
IUPAC NameN-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]-3-(2-hydroxyphenyl)-3-phenylpropanamide
SMILESCOc1ccc(C2(CNC(=O)CC(c3ccccc3)c3ccccc3O)CCCC2)cc1OC
InChIInChI=1S/C29H33NO4/c1-33-26-15-14-22(18-27(26)34-2)29(16-8-9-17-29)20-30-28(32)19-24(21-10-4-3-5-11-21)23-12-6-7-13-25(23)31/h3-7,10-15,18,24,31H,8-9,16-17,19-20H2,1-2H3,(H,30,32)
InChIKeyVMUDRSYQWOQWAR-UHFFFAOYSA-N
XLogP5.56
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.59
LogP ≤ 55.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-[[4-(3,4-dimethoxyphenyl)oxan-4-yl]methyl]-3-(2-hydroxyphenyl)-3-phenylpropanamide
CID 30038082
(3S)-3-(5-bromo-2-hydroxyphenyl)-N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]-3-(4-fluorophenyl)propanamide
CID 125431533
2-[(1S)-3-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl-methylamino]-1-phenylpropyl]phenol
CID 40914225
N-[[4-(3,4-dimethoxyphenyl)oxan-4-yl]methyl]-3-phenylbutanamide
CID 110621403
2-amino-N-[[1-(3,4-dimethoxyphenyl)cyclohexyl]methyl]acetamide;hydrochloride
CID 119325911
4-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methylamino]-4-oxobutanoate
CID 3678737
N'-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]oxamide
CID 27262045
N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]-2-(4-methoxyphenyl)acetamide
CID 1149690
2-(2-methoxyphenoxy)-N-[(1-phenylcyclopentyl)methyl]acetamide
CID 18128274
3-(2-hydroxyphenyl)-N-(2-methoxyphenyl)-3-phenylpropanamide
CID 4136939
N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]benzenesulfonamide
CID 1114580
[1-(3,4-dimethoxyphenyl)cyclopentyl]methanol
CID 13128207

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]-3-(2-hydroxyphenyl)-3-phenylpropanamide?
The IUPAC name of N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]-3-(2-hydroxyphenyl)-3-phenylpropanamide (CID 2870147) is N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]-3-(2-hydroxyphenyl)-3-phenylpropanamide.
What is the SMILES notation for N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]-3-(2-hydroxyphenyl)-3-phenylpropanamide?
The canonical SMILES for N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]-3-(2-hydroxyphenyl)-3-phenylpropanamide is COc1ccc(C2(CNC(=O)CC(c3ccccc3)c3ccccc3O)CCCC2)cc1OC.
What is the InChIKey of N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]-3-(2-hydroxyphenyl)-3-phenylpropanamide?
The InChIKey is VMUDRSYQWOQWAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33NO4/c1-33-26-15-14-22(18-27(26)34-2)29(16-8-9-17-29)20-30-28(32)19-24(21-10-4-3-5-11-21)23-12-6-7-13-25(23)31/h3-7,10-15,18,24,31H,8-9,16-17,19-20H2,1-2H3,(H,30,32).
What are the key properties of N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]-3-(2-hydroxyphenyl)-3-phenylpropanamide?
N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]-3-(2-hydroxyphenyl)-3-phenylpropanamide has a molecular weight of 459.59 g/mol, XLogP of 5.56, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]-3-(2-hydroxyphenyl)-3-phenylpropanamide is sourced from PubChem (CID 2870147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).