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

C16H26N2O3 — CID 8681988

IUPAC(2R)-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-ethylpropanamide
SMILESCCNC(=O)[C@@H](C)N(C)CCc1ccc(OC)c(OC)c1
InChIInChI=1S/C16H26N2O3/c1-6-17-16(19)12(2)18(3)10-9-13-7-8-14(20-4)15(11-13)21-5/h7-8,11-12H,6,9-10H2,1-5H3,(H,17,19)/t12-/m1/s1
InChIKeyQVMSCDCDPSGSID-GFCCVEGCSA-N
MW294.40 g/mol
LogP1.70
Rot. Bonds8

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

(2R)-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-ethylpropanamide (PubChem CID 8681988) has the molecular formula C16H26N2O3 and a molecular weight of 294.40 g/mol. Its IUPAC name is (2R)-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-ethylpropanamide.

Molecular Properties

Compound Name(2R)-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-ethylpropanamide
PubChem CID8681988
Molecular FormulaC16H26N2O3
Molecular Weight294.40 g/mol
Exact Mass294.19
IUPAC Name(2R)-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-ethylpropanamide
SMILESCCNC(=O)[C@@H](C)N(C)CCc1ccc(OC)c(OC)c1
InChIInChI=1S/C16H26N2O3/c1-6-17-16(19)12(2)18(3)10-9-13-7-8-14(20-4)15(11-13)21-5/h7-8,11-12H,6,9-10H2,1-5H3,(H,17,19)/t12-/m1/s1
InChIKeyQVMSCDCDPSGSID-GFCCVEGCSA-N
XLogP1.70
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-cyclopropyl-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]propanamide
CID 8681787
(2R)-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-(methylcarbamoyl)propanamide
CID 8583899
(2S)-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-(2-ethoxyphenyl)propanamide
CID 9461387
(2R)-2-[benzyl(methyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 32727323
(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
N-(1-adamantyl)-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]propanamide
CID 75460448
2-[(3-chlorophenyl)methyl-methylamino]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 55525636
2-[3-(3,4-dimethoxyphenyl)propanoyl-(2-phenylethyl)amino]-N-ethylbutanamide
CID 132667950
2-[2-(3-ethyl-4-methoxyphenyl)ethyl-methylamino]propanoic acid
CID 117042024
2-[acetyl(benzyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 133148863

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-ethylpropanamide?
The IUPAC name of (2R)-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-ethylpropanamide (CID 8681988) is (2R)-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-ethylpropanamide.
What is the SMILES notation for (2R)-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-ethylpropanamide?
The canonical SMILES for (2R)-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-ethylpropanamide is CCNC(=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-ethylpropanamide?
The InChIKey is QVMSCDCDPSGSID-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-6-17-16(19)12(2)18(3)10-9-13-7-8-14(20-4)15(11-13)21-5/h7-8,11-12H,6,9-10H2,1-5H3,(H,17,19)/t12-/m1/s1.
What are the key properties of (2R)-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-ethylpropanamide?
(2R)-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-ethylpropanamide has a molecular weight of 294.40 g/mol, XLogP of 1.70, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-ethylpropanamide is sourced from PubChem (CID 8681988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).