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

C17H26N2O3 — CID 8681787

IUPAC(2R)-N-cyclopropyl-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]propanamide
SMILESCOc1ccc(CCN(C)[C@H](C)C(=O)NC2CC2)cc1OC
InChIInChI=1S/C17H26N2O3/c1-12(17(20)18-14-6-7-14)19(2)10-9-13-5-8-15(21-3)16(11-13)22-4/h5,8,11-12,14H,6-7,9-10H2,1-4H3,(H,18,20)/t12-/m1/s1
InChIKeyJVTBUEPBZQAPLM-GFCCVEGCSA-N
MW306.41 g/mol
LogP1.85
Rot. Bonds8

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

(2R)-N-cyclopropyl-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]propanamide (PubChem CID 8681787) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is (2R)-N-cyclopropyl-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]propanamide.

Molecular Properties

Compound Name(2R)-N-cyclopropyl-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]propanamide
PubChem CID8681787
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name(2R)-N-cyclopropyl-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]propanamide
SMILESCOc1ccc(CCN(C)[C@H](C)C(=O)NC2CC2)cc1OC
InChIInChI=1S/C17H26N2O3/c1-12(17(20)18-14-6-7-14)19(2)10-9-13-5-8-15(21-3)16(11-13)22-4/h5,8,11-12,14H,6-7,9-10H2,1-4H3,(H,18,20)/t12-/m1/s1
InChIKeyJVTBUEPBZQAPLM-GFCCVEGCSA-N
XLogP1.85
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-ethylpropanamide
CID 8681988
N-(1-adamantyl)-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]propanamide
CID 75460448
(2R)-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-(methylcarbamoyl)propanamide
CID 8583899
N-cyclopentyl-2-[3-(3,4-dimethoxyphenyl)propanoyl-(2-phenylethyl)amino]propanamide
CID 132613155
(2R)-N-(3-chloro-4-methoxyphenyl)-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]propanamide
CID 9461401
(2R)-N-(2-chlorophenyl)-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]propanamide
CID 9461268
(2S)-N-(3-bromophenyl)-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]propanamide
CID 9461290
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl]-[2-(3,4-dimethoxyphenyl)ethyl]-methylazanium
CID 8681786
N-cyclopropyl-2-[2-(3,4-dimethoxyphenyl)ethyl-methylsulfonylamino]acetamide
CID 113152518
(2S)-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-(2-ethoxyphenyl)propanamide
CID 9461387
(2R)-2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-cyclopropylpropanamide
CID 9136796
N-cyclopropyl-4-(3,4-dimethoxyphenyl)butanamide
CID 110406403

Frequently Asked Questions

What is the IUPAC name of (2R)-N-cyclopropyl-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]propanamide?
The IUPAC name of (2R)-N-cyclopropyl-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]propanamide (CID 8681787) is (2R)-N-cyclopropyl-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]propanamide.
What is the SMILES notation for (2R)-N-cyclopropyl-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]propanamide?
The canonical SMILES for (2R)-N-cyclopropyl-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]propanamide is COc1ccc(CCN(C)[C@H](C)C(=O)NC2CC2)cc1OC.
What is the InChIKey of (2R)-N-cyclopropyl-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]propanamide?
The InChIKey is JVTBUEPBZQAPLM-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-12(17(20)18-14-6-7-14)19(2)10-9-13-5-8-15(21-3)16(11-13)22-4/h5,8,11-12,14H,6-7,9-10H2,1-4H3,(H,18,20)/t12-/m1/s1.
What are the key properties of (2R)-N-cyclopropyl-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]propanamide?
(2R)-N-cyclopropyl-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]propanamide has a molecular weight of 306.41 g/mol, XLogP of 1.85, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-cyclopropyl-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]propanamide is sourced from PubChem (CID 8681787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).