(2S)-2-[(3-methoxy-4-phenylmethoxyphenyl)methyl-methylamino]-N-methylpropanamide

C20H26N2O3 — CID 8694047

IUPAC(2S)-2-[(3-methoxy-4-phenylmethoxyphenyl)methyl-methylamino]-N-methylpropanamide
SMILESCNC(=O)[C@H](C)N(C)Cc1ccc(OCc2ccccc2)c(OC)c1
InChIInChI=1S/C20H26N2O3/c1-15(20(23)21-2)22(3)13-17-10-11-18(19(12-17)24-4)25-14-16-8-6-5-7-9-16/h5-12,15H,13-14H2,1-4H3,(H,21,23)/t15-/m0/s1
InChIKeyWPCQZBXFVDKYMS-HNNXBMFYSA-N
MW342.44 g/mol
LogP2.84
Rot. Bonds8

About (2S)-2-[(3-methoxy-4-phenylmethoxyphenyl)methyl-methylamino]-N-methylpropanamide

(2S)-2-[(3-methoxy-4-phenylmethoxyphenyl)methyl-methylamino]-N-methylpropanamide (PubChem CID 8694047) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is (2S)-2-[(3-methoxy-4-phenylmethoxyphenyl)methyl-methylamino]-N-methylpropanamide.

Molecular Properties

Compound Name(2S)-2-[(3-methoxy-4-phenylmethoxyphenyl)methyl-methylamino]-N-methylpropanamide
PubChem CID8694047
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name(2S)-2-[(3-methoxy-4-phenylmethoxyphenyl)methyl-methylamino]-N-methylpropanamide
SMILESCNC(=O)[C@H](C)N(C)Cc1ccc(OCc2ccccc2)c(OC)c1
InChIInChI=1S/C20H26N2O3/c1-15(20(23)21-2)22(3)13-17-10-11-18(19(12-17)24-4)25-14-16-8-6-5-7-9-16/h5-12,15H,13-14H2,1-4H3,(H,21,23)/t15-/m0/s1
InChIKeyWPCQZBXFVDKYMS-HNNXBMFYSA-N
XLogP2.84
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]-N-methylpropanamide
CID 8694700
(2R)-2-[benzyl(methyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 32727323
(2R)-N-(benzylcarbamoyl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]propanamide
CID 9494696
methyl N-[(2S)-2-[(3,4-dimethoxyphenyl)methyl-methylamino]propanoyl]carbamate
CID 8845343
2-[(3-methoxy-4-phenylmethoxyphenyl)methyl-methylamino]acetamide
CID 8694017
2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-N-phenylpropanamide
CID 18191621
N-benzyl-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]propanamide
CID 18088306
3-(3-methoxy-4-phenylmethoxyphenyl)propanoic acid
CID 2752415
3-benzyl-1-butan-2-yl-1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]urea
CID 42708379
(2R)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]-N-naphthalen-1-ylpropanamide
CID 8798163
methyl 3-[[methyl-[(2R)-1-(methylamino)-1-oxopropan-2-yl]amino]methyl]benzoate
CID 95202904
2-[[4-[2-(2-chlorophenoxy)ethoxy]-3-methoxyphenyl]methyl-methylamino]propanoic acid
CID 122036777

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(3-methoxy-4-phenylmethoxyphenyl)methyl-methylamino]-N-methylpropanamide?
The IUPAC name of (2S)-2-[(3-methoxy-4-phenylmethoxyphenyl)methyl-methylamino]-N-methylpropanamide (CID 8694047) is (2S)-2-[(3-methoxy-4-phenylmethoxyphenyl)methyl-methylamino]-N-methylpropanamide.
What is the SMILES notation for (2S)-2-[(3-methoxy-4-phenylmethoxyphenyl)methyl-methylamino]-N-methylpropanamide?
The canonical SMILES for (2S)-2-[(3-methoxy-4-phenylmethoxyphenyl)methyl-methylamino]-N-methylpropanamide is CNC(=O)[C@H](C)N(C)Cc1ccc(OCc2ccccc2)c(OC)c1.
What is the InChIKey of (2S)-2-[(3-methoxy-4-phenylmethoxyphenyl)methyl-methylamino]-N-methylpropanamide?
The InChIKey is WPCQZBXFVDKYMS-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-15(20(23)21-2)22(3)13-17-10-11-18(19(12-17)24-4)25-14-16-8-6-5-7-9-16/h5-12,15H,13-14H2,1-4H3,(H,21,23)/t15-/m0/s1.
What are the key properties of (2S)-2-[(3-methoxy-4-phenylmethoxyphenyl)methyl-methylamino]-N-methylpropanamide?
(2S)-2-[(3-methoxy-4-phenylmethoxyphenyl)methyl-methylamino]-N-methylpropanamide has a molecular weight of 342.44 g/mol, XLogP of 2.84, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(3-methoxy-4-phenylmethoxyphenyl)methyl-methylamino]-N-methylpropanamide is sourced from PubChem (CID 8694047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).