N-[(1S)-2-(dimethylamino)-1-phenylethyl]-3-methoxy-4-phenylmethoxybenzamide

C25H28N2O3 — CID 8936655

IUPACN-[(1S)-2-(dimethylamino)-1-phenylethyl]-3-methoxy-4-phenylmethoxybenzamide
SMILESCOc1cc(C(=O)N[C@H](CN(C)C)c2ccccc2)ccc1OCc1ccccc1
InChIInChI=1S/C25H28N2O3/c1-27(2)17-22(20-12-8-5-9-13-20)26-25(28)21-14-15-23(24(16-21)29-3)30-18-19-10-6-4-7-11-19/h4-16,22H,17-18H2,1-3H3,(H,26,28)/t22-/m1/s1
InChIKeyIMZJIEUXKMAEED-JOCHJYFZSA-N
MW404.51 g/mol
LogP4.31
Rot. Bonds9

About N-[(1S)-2-(dimethylamino)-1-phenylethyl]-3-methoxy-4-phenylmethoxybenzamide

N-[(1S)-2-(dimethylamino)-1-phenylethyl]-3-methoxy-4-phenylmethoxybenzamide (PubChem CID 8936655) has the molecular formula C25H28N2O3 and a molecular weight of 404.51 g/mol. Its IUPAC name is N-[(1S)-2-(dimethylamino)-1-phenylethyl]-3-methoxy-4-phenylmethoxybenzamide.

Molecular Properties

Compound NameN-[(1S)-2-(dimethylamino)-1-phenylethyl]-3-methoxy-4-phenylmethoxybenzamide
PubChem CID8936655
Molecular FormulaC25H28N2O3
Molecular Weight404.51 g/mol
Exact Mass404.21
IUPAC NameN-[(1S)-2-(dimethylamino)-1-phenylethyl]-3-methoxy-4-phenylmethoxybenzamide
SMILESCOc1cc(C(=O)N[C@H](CN(C)C)c2ccccc2)ccc1OCc1ccccc1
InChIInChI=1S/C25H28N2O3/c1-27(2)17-22(20-12-8-5-9-13-20)26-25(28)21-14-15-23(24(16-21)29-3)30-18-19-10-6-4-7-11-19/h4-16,22H,17-18H2,1-3H3,(H,26,28)/t22-/m1/s1
InChIKeyIMZJIEUXKMAEED-JOCHJYFZSA-N
XLogP4.31
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-2-(dimethylamino)-1-phenylethyl]-4-phenylmethoxybenzamide
CID 8937208
4-cyclopentyloxy-N-[2-(dimethylamino)-1-phenylethyl]-3-methoxybenzamide
CID 78889552
(2S)-3-(4-hydroxyphenyl)-2-[(3-methoxy-4-phenylmethoxybenzoyl)amino]propanoic acid
CID 2577208
N,N-dimethylmethanamine;methyl 3-methoxy-4-phenylmethoxybenzoate
CID 145103744
3-methoxy-N-phenyl-4-phenylmethoxybenzamide
CID 5161412
4-methoxy-N-methyl-3-phenylmethoxybenzamide
CID 138553454
N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-3-methoxy-4-phenylmethoxybenzamide
CID 8750850
[(2R)-2-[(3,4-dimethoxybenzoyl)amino]-2-phenylethyl]-dimethylazanium
CID 8936252
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methoxy-4-phenylmethoxybenzamide
CID 8702201
N-[(1R)-1-(furan-2-yl)ethyl]-3-methoxy-4-phenylmethoxybenzamide
CID 9481817
3-methoxy-N-[1-(4-methylsulfonylphenyl)ethyl]-4-phenylmethoxybenzamide
CID 55433266
methyl (2S)-2-[(3,4-dimethoxybenzoyl)amino]-3-phenylpropanoate
CID 10360063

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-(dimethylamino)-1-phenylethyl]-3-methoxy-4-phenylmethoxybenzamide?
The IUPAC name of N-[(1S)-2-(dimethylamino)-1-phenylethyl]-3-methoxy-4-phenylmethoxybenzamide (CID 8936655) is N-[(1S)-2-(dimethylamino)-1-phenylethyl]-3-methoxy-4-phenylmethoxybenzamide.
What is the SMILES notation for N-[(1S)-2-(dimethylamino)-1-phenylethyl]-3-methoxy-4-phenylmethoxybenzamide?
The canonical SMILES for N-[(1S)-2-(dimethylamino)-1-phenylethyl]-3-methoxy-4-phenylmethoxybenzamide is COc1cc(C(=O)N[C@H](CN(C)C)c2ccccc2)ccc1OCc1ccccc1.
What is the InChIKey of N-[(1S)-2-(dimethylamino)-1-phenylethyl]-3-methoxy-4-phenylmethoxybenzamide?
The InChIKey is IMZJIEUXKMAEED-JOCHJYFZSA-N. The full InChI is InChI=1S/C25H28N2O3/c1-27(2)17-22(20-12-8-5-9-13-20)26-25(28)21-14-15-23(24(16-21)29-3)30-18-19-10-6-4-7-11-19/h4-16,22H,17-18H2,1-3H3,(H,26,28)/t22-/m1/s1.
What are the key properties of N-[(1S)-2-(dimethylamino)-1-phenylethyl]-3-methoxy-4-phenylmethoxybenzamide?
N-[(1S)-2-(dimethylamino)-1-phenylethyl]-3-methoxy-4-phenylmethoxybenzamide has a molecular weight of 404.51 g/mol, XLogP of 4.31, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-(dimethylamino)-1-phenylethyl]-3-methoxy-4-phenylmethoxybenzamide is sourced from PubChem (CID 8936655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).