(2R)-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-(methylcarbamoyl)propanamide

C16H25N3O4 — CID 8583899

IUPAC(2R)-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)[C@@H](C)N(C)CCc1ccc(OC)c(OC)c1
InChIInChI=1S/C16H25N3O4/c1-11(15(20)18-16(21)17-2)19(3)9-8-12-6-7-13(22-4)14(10-12)23-5/h6-7,10-11H,8-9H2,1-5H3,(H2,17,18,20,21)/t11-/m1/s1
InChIKeyOKEZSAVBSAFXSR-LLVKDONJSA-N
MW323.39 g/mol
LogP1.02
Rot. Bonds7

About (2R)-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-(methylcarbamoyl)propanamide

(2R)-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-(methylcarbamoyl)propanamide (PubChem CID 8583899) has the molecular formula C16H25N3O4 and a molecular weight of 323.39 g/mol. Its IUPAC name is (2R)-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-(methylcarbamoyl)propanamide.

Molecular Properties

Compound Name(2R)-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-(methylcarbamoyl)propanamide
PubChem CID8583899
Molecular FormulaC16H25N3O4
Molecular Weight323.39 g/mol
Exact Mass323.18
IUPAC Name(2R)-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)[C@@H](C)N(C)CCc1ccc(OC)c(OC)c1
InChIInChI=1S/C16H25N3O4/c1-11(15(20)18-16(21)17-2)19(3)9-8-12-6-7-13(22-4)14(10-12)23-5/h6-7,10-11H,8-9H2,1-5H3,(H2,17,18,20,21)/t11-/m1/s1
InChIKeyOKEZSAVBSAFXSR-LLVKDONJSA-N
XLogP1.02
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-ethylpropanamide
CID 8681988
(2R)-N-cyclopropyl-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]propanamide
CID 8681787
N-(1-adamantyl)-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]propanamide
CID 75460448
(2R)-N-(2-chlorophenyl)-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]propanamide
CID 9461268
(2R)-N-(3-chloro-4-methoxyphenyl)-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]propanamide
CID 9461401
(2S)-N-(3-bromophenyl)-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]propanamide
CID 9461290
(2S)-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-(2-ethoxyphenyl)propanamide
CID 9461387
methyl N-[(2S)-2-[(3,4-dimethoxyphenyl)methyl-methylamino]propanoyl]carbamate
CID 8845343
(2R)-2-[benzyl(methyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 32727323
(2S)-N-(methylcarbamoyl)-2-[methyl(4-phenylbutyl)amino]propanamide
CID 94184029
2-[5-(aminomethyl)-2-methoxyphenoxy]-N-(methylcarbamoyl)propanamide
CID 43122504
2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-(propan-2-ylcarbamoyl)acetamide
CID 8583865

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-(methylcarbamoyl)propanamide?
The IUPAC name of (2R)-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-(methylcarbamoyl)propanamide (CID 8583899) is (2R)-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-(methylcarbamoyl)propanamide.
What is the SMILES notation for (2R)-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-(methylcarbamoyl)propanamide?
The canonical SMILES for (2R)-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-(methylcarbamoyl)propanamide is CNC(=O)NC(=O)[C@@H](C)N(C)CCc1ccc(OC)c(OC)c1.
What is the InChIKey of (2R)-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-(methylcarbamoyl)propanamide?
The InChIKey is OKEZSAVBSAFXSR-LLVKDONJSA-N. The full InChI is InChI=1S/C16H25N3O4/c1-11(15(20)18-16(21)17-2)19(3)9-8-12-6-7-13(22-4)14(10-12)23-5/h6-7,10-11H,8-9H2,1-5H3,(H2,17,18,20,21)/t11-/m1/s1.
What are the key properties of (2R)-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-(methylcarbamoyl)propanamide?
(2R)-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-(methylcarbamoyl)propanamide has a molecular weight of 323.39 g/mol, XLogP of 1.02, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-(methylcarbamoyl)propanamide is sourced from PubChem (CID 8583899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).