(3R)-3-[(5-chloro-2,4-dimethoxyphenyl)methyl-methylamino]-N-methylbutanamide

C15H23ClN2O3 — CID 99938180

IUPAC(3R)-3-[(5-chloro-2,4-dimethoxyphenyl)methyl-methylamino]-N-methylbutanamide
SMILESCNC(=O)C[C@@H](C)N(C)Cc1cc(Cl)c(OC)cc1OC
InChIInChI=1S/C15H23ClN2O3/c1-10(6-15(19)17-2)18(3)9-11-7-12(16)14(21-5)8-13(11)20-4/h7-8,10H,6,9H2,1-5H3,(H,17,19)/t10-/m1/s1
InChIKeyQVSABXWIMZYQMW-SNVBAGLBSA-N
MW314.81 g/mol
LogP2.31
Rot. Bonds7

About (3R)-3-[(5-chloro-2,4-dimethoxyphenyl)methyl-methylamino]-N-methylbutanamide

(3R)-3-[(5-chloro-2,4-dimethoxyphenyl)methyl-methylamino]-N-methylbutanamide (PubChem CID 99938180) has the molecular formula C15H23ClN2O3 and a molecular weight of 314.81 g/mol. Its IUPAC name is (3R)-3-[(5-chloro-2,4-dimethoxyphenyl)methyl-methylamino]-N-methylbutanamide.

Molecular Properties

Compound Name(3R)-3-[(5-chloro-2,4-dimethoxyphenyl)methyl-methylamino]-N-methylbutanamide
PubChem CID99938180
Molecular FormulaC15H23ClN2O3
Molecular Weight314.81 g/mol
Exact Mass314.14
IUPAC Name(3R)-3-[(5-chloro-2,4-dimethoxyphenyl)methyl-methylamino]-N-methylbutanamide
SMILESCNC(=O)C[C@@H](C)N(C)Cc1cc(Cl)c(OC)cc1OC
InChIInChI=1S/C15H23ClN2O3/c1-10(6-15(19)17-2)18(3)9-11-7-12(16)14(21-5)8-13(11)20-4/h7-8,10H,6,9H2,1-5H3,(H,17,19)/t10-/m1/s1
InChIKeyQVSABXWIMZYQMW-SNVBAGLBSA-N
XLogP2.31
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.81
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-[(5-chloro-2,4-dimethoxyphenyl)methyl-methylamino]-N-methylbutanamide
CID 99938179
(3S)-3-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl-methylamino]-N-methylbutanamide
CID 95217499
(2S)-2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-methylpropanamide
CID 9137098
3-[(4-methoxy-2-pyridinyl)methyl-methylamino]-N-methylbutanamide
CID 91831930
4-(3-aminopropoxy)-3-chloro-N-methyl-N-[(2S)-4-(methylamino)-4-oxobutan-2-yl]benzamide
CID 125155803
(3S)-3-[[2-(4-chloro-3-methylanilino)-2-oxoethyl]-methylamino]-N-methylbutanamide
CID 124749263
(3S)-N-methyl-3-[methyl-[(5-methylnaphthalen-1-yl)methyl]amino]butanamide
CID 99936419
(3R)-N-methyl-3-[methyl(pyridin-4-ylmethyl)amino]butanamide
CID 95131612
2-(5-chloro-2,4-dimethoxyanilino)-N-methylpropanamide
CID 43085511
methyl N-[(5-chloro-2-methoxy-4-methylphenyl)methyl]-N-methylcarbamate
CID 115190631
3-amino-N-(5-chloro-2,4-dimethoxyphenyl)butanamide
CID 60836807
1-chloro-4-ethyl-2,5-dimethoxybenzene
CID 71132798

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(5-chloro-2,4-dimethoxyphenyl)methyl-methylamino]-N-methylbutanamide?
The IUPAC name of (3R)-3-[(5-chloro-2,4-dimethoxyphenyl)methyl-methylamino]-N-methylbutanamide (CID 99938180) is (3R)-3-[(5-chloro-2,4-dimethoxyphenyl)methyl-methylamino]-N-methylbutanamide.
What is the SMILES notation for (3R)-3-[(5-chloro-2,4-dimethoxyphenyl)methyl-methylamino]-N-methylbutanamide?
The canonical SMILES for (3R)-3-[(5-chloro-2,4-dimethoxyphenyl)methyl-methylamino]-N-methylbutanamide is CNC(=O)C[C@@H](C)N(C)Cc1cc(Cl)c(OC)cc1OC.
What is the InChIKey of (3R)-3-[(5-chloro-2,4-dimethoxyphenyl)methyl-methylamino]-N-methylbutanamide?
The InChIKey is QVSABXWIMZYQMW-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H23ClN2O3/c1-10(6-15(19)17-2)18(3)9-11-7-12(16)14(21-5)8-13(11)20-4/h7-8,10H,6,9H2,1-5H3,(H,17,19)/t10-/m1/s1.
What are the key properties of (3R)-3-[(5-chloro-2,4-dimethoxyphenyl)methyl-methylamino]-N-methylbutanamide?
(3R)-3-[(5-chloro-2,4-dimethoxyphenyl)methyl-methylamino]-N-methylbutanamide has a molecular weight of 314.81 g/mol, XLogP of 2.31, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(5-chloro-2,4-dimethoxyphenyl)methyl-methylamino]-N-methylbutanamide is sourced from PubChem (CID 99938180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).