(2S)-2-[(4-methoxy-3,5-dimethylphenyl)methyl-methylamino]-N-(methylcarbamoyl)propanamide

C16H25N3O3 — CID 94817203

IUPAC(2S)-2-[(4-methoxy-3,5-dimethylphenyl)methyl-methylamino]-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)[C@H](C)N(C)Cc1cc(C)c(OC)c(C)c1
InChIInChI=1S/C16H25N3O3/c1-10-7-13(8-11(2)14(10)22-6)9-19(5)12(3)15(20)18-16(21)17-4/h7-8,12H,9H2,1-6H3,(H2,17,18,20,21)/t12-/m0/s1
InChIKeyOAAYPMUJRFFMNB-LBPRGKRZSA-N
MW307.39 g/mol
LogP1.59
Rot. Bonds5

About (2S)-2-[(4-methoxy-3,5-dimethylphenyl)methyl-methylamino]-N-(methylcarbamoyl)propanamide

(2S)-2-[(4-methoxy-3,5-dimethylphenyl)methyl-methylamino]-N-(methylcarbamoyl)propanamide (PubChem CID 94817203) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is (2S)-2-[(4-methoxy-3,5-dimethylphenyl)methyl-methylamino]-N-(methylcarbamoyl)propanamide.

Molecular Properties

Compound Name(2S)-2-[(4-methoxy-3,5-dimethylphenyl)methyl-methylamino]-N-(methylcarbamoyl)propanamide
PubChem CID94817203
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC Name(2S)-2-[(4-methoxy-3,5-dimethylphenyl)methyl-methylamino]-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)[C@H](C)N(C)Cc1cc(C)c(OC)c(C)c1
InChIInChI=1S/C16H25N3O3/c1-10-7-13(8-11(2)14(10)22-6)9-19(5)12(3)15(20)18-16(21)17-4/h7-8,12H,9H2,1-6H3,(H2,17,18,20,21)/t12-/m0/s1
InChIKeyOAAYPMUJRFFMNB-LBPRGKRZSA-N
XLogP1.59
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[(4-methoxy-3,5-dimethylphenyl)methyl-methylamino]propanamide
CID 94817225
(2R)-N-(methylcarbamoyl)-2-[methyl-[(4-methylphenyl)methyl]amino]propanamide
CID 9024362
(2S)-2-[(4-ethylphenyl)methyl-methylamino]-N-(methylcarbamoyl)propanamide
CID 8907646
(2R)-2-[(4-fluorophenyl)methyl-methylamino]-N-(methylcarbamoyl)propanamide
CID 9251723
2-[(3-aminophenyl)methyl-methylamino]-N-(methylcarbamoyl)propanamide
CID 43458016
(2R)-N-(methylcarbamoyl)-2-[methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]propanamide
CID 94469192
3-[methyl-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]amino]propanoic acid
CID 60987240
2-[(3-cyanophenyl)methyl-methylamino]-N-(methylcarbamoyl)propanamide
CID 42957830
(2R)-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-(methylcarbamoyl)propanamide
CID 8583899
1-[(4-methoxy-3,5-dimethylphenyl)methyl]-3-methylurea
CID 115169183
N-[(4-methoxy-3,5-dimethylphenyl)methyl]-N-methylhydroxylamine
CID 82606327
1-[2-(4-methoxy-3,5-dimethylphenyl)ethyl]-3-methylurea
CID 115169411

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-methoxy-3,5-dimethylphenyl)methyl-methylamino]-N-(methylcarbamoyl)propanamide?
The IUPAC name of (2S)-2-[(4-methoxy-3,5-dimethylphenyl)methyl-methylamino]-N-(methylcarbamoyl)propanamide (CID 94817203) is (2S)-2-[(4-methoxy-3,5-dimethylphenyl)methyl-methylamino]-N-(methylcarbamoyl)propanamide.
What is the SMILES notation for (2S)-2-[(4-methoxy-3,5-dimethylphenyl)methyl-methylamino]-N-(methylcarbamoyl)propanamide?
The canonical SMILES for (2S)-2-[(4-methoxy-3,5-dimethylphenyl)methyl-methylamino]-N-(methylcarbamoyl)propanamide is CNC(=O)NC(=O)[C@H](C)N(C)Cc1cc(C)c(OC)c(C)c1.
What is the InChIKey of (2S)-2-[(4-methoxy-3,5-dimethylphenyl)methyl-methylamino]-N-(methylcarbamoyl)propanamide?
The InChIKey is OAAYPMUJRFFMNB-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-10-7-13(8-11(2)14(10)22-6)9-19(5)12(3)15(20)18-16(21)17-4/h7-8,12H,9H2,1-6H3,(H2,17,18,20,21)/t12-/m0/s1.
What are the key properties of (2S)-2-[(4-methoxy-3,5-dimethylphenyl)methyl-methylamino]-N-(methylcarbamoyl)propanamide?
(2S)-2-[(4-methoxy-3,5-dimethylphenyl)methyl-methylamino]-N-(methylcarbamoyl)propanamide has a molecular weight of 307.39 g/mol, XLogP of 1.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-methoxy-3,5-dimethylphenyl)methyl-methylamino]-N-(methylcarbamoyl)propanamide is sourced from PubChem (CID 94817203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).