N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[2-hydroxy-2-(4-phenylmethoxyphenyl)ethyl]-2,2-dimethylpropanamide

C30H37NO5 — CID 14456864

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-N-[2-hydroxy-2-(4-phenylmethoxyphenyl)ethyl]-2,2-dimethylpropanamide
SMILESCOc1ccc(CCN(CC(O)c2ccc(OCc3ccccc3)cc2)C(=O)C(C)(C)C)cc1OC
InChIInChI=1S/C30H37NO5/c1-30(2,3)29(33)31(18-17-22-11-16-27(34-4)28(19-22)35-5)20-26(32)24-12-14-25(15-13-24)36-21-23-9-7-6-8-10-23/h6-16,19,26,32H,17-18,20-21H2,1-5H3
InChIKeyXBPXUSAFFXMIFV-UHFFFAOYSA-N
MW491.63 g/mol
LogP5.43
Rot. Bonds11

About N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[2-hydroxy-2-(4-phenylmethoxyphenyl)ethyl]-2,2-dimethylpropanamide

N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[2-hydroxy-2-(4-phenylmethoxyphenyl)ethyl]-2,2-dimethylpropanamide (PubChem CID 14456864) has the molecular formula C30H37NO5 and a molecular weight of 491.63 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[2-hydroxy-2-(4-phenylmethoxyphenyl)ethyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-N-[2-hydroxy-2-(4-phenylmethoxyphenyl)ethyl]-2,2-dimethylpropanamide
PubChem CID14456864
Molecular FormulaC30H37NO5
Molecular Weight491.63 g/mol
Exact Mass491.27
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-N-[2-hydroxy-2-(4-phenylmethoxyphenyl)ethyl]-2,2-dimethylpropanamide
SMILESCOc1ccc(CCN(CC(O)c2ccc(OCc3ccccc3)cc2)C(=O)C(C)(C)C)cc1OC
InChIInChI=1S/C30H37NO5/c1-30(2,3)29(33)31(18-17-22-11-16-27(34-4)28(19-22)35-5)20-26(32)24-12-14-25(15-13-24)36-21-23-9-7-6-8-10-23/h6-16,19,26,32H,17-18,20-21H2,1-5H3
InChIKeyXBPXUSAFFXMIFV-UHFFFAOYSA-N
XLogP5.43
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.63
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3,4-dimethoxyphenyl)propyl-[1-hydroxy-1-(4-phenylmethoxyphenyl)propan-2-yl]azanium chloride
CID 110185116
2-[benzyl-[2-(3,4-dimethoxyphenyl)ethyl]amino]-1-(4-chlorophenyl)ethanol
CID 21450201
4-(3-methoxy-4-phenylmethoxyphenyl)butanoic acid
CID 117484134
3-(3-methoxy-4-phenylmethoxyphenyl)propanoic acid
CID 2752415
(1S)-2-[methyl-[3-(4-phenylmethoxyphenyl)propyl]amino]-1-phenylethanol
CID 70593836
(1S)-1-[4-[(3,4-dimethoxyphenyl)methoxy]phenyl]ethanol
CID 78933373
4-(3-methoxy-4-phenylmethoxyphenyl)-2-methylbutanamide
CID 68669823
2-(4-methoxy-3-phenylmethoxyphenyl)-N,N-dimethylethanamine
CID 18986890
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-methoxyphenyl)-1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]urea
CID 4562686
3-(3-methoxy-4-phenylmethoxyphenyl)propanamide
CID 18442581
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(phenoxymethyl)benzamide
CID 26733446
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-fluorophenyl)-1-[(3-phenylmethoxyphenyl)methyl]urea
CID 42707828

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[2-hydroxy-2-(4-phenylmethoxyphenyl)ethyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[2-hydroxy-2-(4-phenylmethoxyphenyl)ethyl]-2,2-dimethylpropanamide (CID 14456864) is N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[2-hydroxy-2-(4-phenylmethoxyphenyl)ethyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[2-hydroxy-2-(4-phenylmethoxyphenyl)ethyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[2-hydroxy-2-(4-phenylmethoxyphenyl)ethyl]-2,2-dimethylpropanamide is COc1ccc(CCN(CC(O)c2ccc(OCc3ccccc3)cc2)C(=O)C(C)(C)C)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[2-hydroxy-2-(4-phenylmethoxyphenyl)ethyl]-2,2-dimethylpropanamide?
The InChIKey is XBPXUSAFFXMIFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37NO5/c1-30(2,3)29(33)31(18-17-22-11-16-27(34-4)28(19-22)35-5)20-26(32)24-12-14-25(15-13-24)36-21-23-9-7-6-8-10-23/h6-16,19,26,32H,17-18,20-21H2,1-5H3.
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[2-hydroxy-2-(4-phenylmethoxyphenyl)ethyl]-2,2-dimethylpropanamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[2-hydroxy-2-(4-phenylmethoxyphenyl)ethyl]-2,2-dimethylpropanamide has a molecular weight of 491.63 g/mol, XLogP of 5.43, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[2-hydroxy-2-(4-phenylmethoxyphenyl)ethyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 14456864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).