3,5-dimethoxy-N-(2-methylpropyl)-4-phenylmethoxy-N-propan-2-ylbenzamide

C23H31NO4 — CID 55602174

IUPAC3,5-dimethoxy-N-(2-methylpropyl)-4-phenylmethoxy-N-propan-2-ylbenzamide
SMILESCOc1cc(C(=O)N(CC(C)C)C(C)C)cc(OC)c1OCc1ccccc1
InChIInChI=1S/C23H31NO4/c1-16(2)14-24(17(3)4)23(25)19-12-20(26-5)22(21(13-19)27-6)28-15-18-10-8-7-9-11-18/h7-13,16-17H,14-15H2,1-6H3
InChIKeyMKMFBWCZSHXGPT-UHFFFAOYSA-N
MW385.50 g/mol
LogP4.79
Rot. Bonds9

About 3,5-dimethoxy-N-(2-methylpropyl)-4-phenylmethoxy-N-propan-2-ylbenzamide

3,5-dimethoxy-N-(2-methylpropyl)-4-phenylmethoxy-N-propan-2-ylbenzamide (PubChem CID 55602174) has the molecular formula C23H31NO4 and a molecular weight of 385.50 g/mol. Its IUPAC name is 3,5-dimethoxy-N-(2-methylpropyl)-4-phenylmethoxy-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name3,5-dimethoxy-N-(2-methylpropyl)-4-phenylmethoxy-N-propan-2-ylbenzamide
PubChem CID55602174
Molecular FormulaC23H31NO4
Molecular Weight385.50 g/mol
Exact Mass385.23
IUPAC Name3,5-dimethoxy-N-(2-methylpropyl)-4-phenylmethoxy-N-propan-2-ylbenzamide
SMILESCOc1cc(C(=O)N(CC(C)C)C(C)C)cc(OC)c1OCc1ccccc1
InChIInChI=1S/C23H31NO4/c1-16(2)14-24(17(3)4)23(25)19-12-20(26-5)22(21(13-19)27-6)28-15-18-10-8-7-9-11-18/h7-13,16-17H,14-15H2,1-6H3
InChIKeyMKMFBWCZSHXGPT-UHFFFAOYSA-N
XLogP4.79
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.50
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-amino-2-oxoethoxy)-N-benzyl-3,5-dimethoxy-N-propan-2-ylbenzamide
CID 30100434
N-benzyl-3,4-dimethoxy-N-propan-2-ylbenzamide
CID 807482
3,5-dimethoxy-4-phenylmethoxybenzoic acid;3,5-dimethoxy-4-phenylmethoxybenzoyl chloride
CID 159259540
N-[2-(dimethylamino)-2-oxoethyl]-3,5-dimethoxy-4-phenylmethoxybenzamide
CID 24512905
methyl (2S)-2-[benzyl-(3,4,5-trimethoxybenzoyl)amino]propanoate
CID 71905565
N-(2-aminoethyl)-3,5-dimethoxy-4-phenylmethoxybenzamide
CID 119384512
N-(2,3-dihydro-1H-inden-1-yl)-3,5-dimethoxy-N-methyl-4-phenylmethoxybenzamide
CID 55534185
N-[2-(dimethylamino)-3-phenylpropyl]-3,5-dimethoxy-4-phenylmethoxybenzamide
CID 55450378
3,5-dimethoxy-N-methyl-4-phenylmethoxy-N-piperidin-4-ylbenzamide;hydrochloride
CID 119443555
(3,5-dimethoxy-4-phenylmethoxyphenyl)-pyrrolidin-1-ylmethanone
CID 826425
N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethyl-3,5-dimethoxy-4-phenylmethoxybenzamide
CID 24548570
N-benzyl-3,4,5-trimethoxy-N-[(2R)-1-(2-methoxyphenyl)propan-2-yl]benzamide
CID 52501698

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-N-(2-methylpropyl)-4-phenylmethoxy-N-propan-2-ylbenzamide?
The IUPAC name of 3,5-dimethoxy-N-(2-methylpropyl)-4-phenylmethoxy-N-propan-2-ylbenzamide (CID 55602174) is 3,5-dimethoxy-N-(2-methylpropyl)-4-phenylmethoxy-N-propan-2-ylbenzamide.
What is the SMILES notation for 3,5-dimethoxy-N-(2-methylpropyl)-4-phenylmethoxy-N-propan-2-ylbenzamide?
The canonical SMILES for 3,5-dimethoxy-N-(2-methylpropyl)-4-phenylmethoxy-N-propan-2-ylbenzamide is COc1cc(C(=O)N(CC(C)C)C(C)C)cc(OC)c1OCc1ccccc1.
What is the InChIKey of 3,5-dimethoxy-N-(2-methylpropyl)-4-phenylmethoxy-N-propan-2-ylbenzamide?
The InChIKey is MKMFBWCZSHXGPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO4/c1-16(2)14-24(17(3)4)23(25)19-12-20(26-5)22(21(13-19)27-6)28-15-18-10-8-7-9-11-18/h7-13,16-17H,14-15H2,1-6H3.
What are the key properties of 3,5-dimethoxy-N-(2-methylpropyl)-4-phenylmethoxy-N-propan-2-ylbenzamide?
3,5-dimethoxy-N-(2-methylpropyl)-4-phenylmethoxy-N-propan-2-ylbenzamide has a molecular weight of 385.50 g/mol, XLogP of 4.79, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-N-(2-methylpropyl)-4-phenylmethoxy-N-propan-2-ylbenzamide is sourced from PubChem (CID 55602174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).