(2R)-N-(3,4-dimethylphenyl)-2-[[(2R)-2-hydroxy-3-methoxypropyl]-methylamino]propanamide

C16H26N2O3 — CID 129378013

IUPAC(2R)-N-(3,4-dimethylphenyl)-2-[[(2R)-2-hydroxy-3-methoxypropyl]-methylamino]propanamide
SMILESCOC[C@H](O)CN(C)[C@H](C)C(=O)Nc1ccc(C)c(C)c1
InChIInChI=1S/C16H26N2O3/c1-11-6-7-14(8-12(11)2)17-16(20)13(3)18(4)9-15(19)10-21-5/h6-8,13,15,19H,9-10H2,1-5H3,(H,17,20)/t13-,15-/m1/s1
InChIKeyYLELCLFYBOHMMP-UKRRQHHQSA-N
MW294.40 g/mol
LogP1.57
Rot. Bonds7

About (2R)-N-(3,4-dimethylphenyl)-2-[[(2R)-2-hydroxy-3-methoxypropyl]-methylamino]propanamide

(2R)-N-(3,4-dimethylphenyl)-2-[[(2R)-2-hydroxy-3-methoxypropyl]-methylamino]propanamide (PubChem CID 129378013) has the molecular formula C16H26N2O3 and a molecular weight of 294.40 g/mol. Its IUPAC name is (2R)-N-(3,4-dimethylphenyl)-2-[[(2R)-2-hydroxy-3-methoxypropyl]-methylamino]propanamide.

Molecular Properties

Compound Name(2R)-N-(3,4-dimethylphenyl)-2-[[(2R)-2-hydroxy-3-methoxypropyl]-methylamino]propanamide
PubChem CID129378013
Molecular FormulaC16H26N2O3
Molecular Weight294.40 g/mol
Exact Mass294.19
IUPAC Name(2R)-N-(3,4-dimethylphenyl)-2-[[(2R)-2-hydroxy-3-methoxypropyl]-methylamino]propanamide
SMILESCOC[C@H](O)CN(C)[C@H](C)C(=O)Nc1ccc(C)c(C)c1
InChIInChI=1S/C16H26N2O3/c1-11-6-7-14(8-12(11)2)17-16(20)13(3)18(4)9-15(19)10-21-5/h6-8,13,15,19H,9-10H2,1-5H3,(H,17,20)/t13-,15-/m1/s1
InChIKeyYLELCLFYBOHMMP-UKRRQHHQSA-N
XLogP1.57
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 111462613
N-(2,6-diethylphenyl)-2-[(2-hydroxy-3-methoxypropyl)-methylamino]propanamide
CID 111462496
2-amino-N-(3,4-dimethylphenyl)-3-methoxypropanamide
CID 81081537
N-(2-butan-2-ylphenyl)-2-[(2-hydroxy-3-methoxypropyl)-methylamino]propanamide
CID 111462556
N-(3-fluoro-4-methylphenyl)-2-[3-hydroxybutyl(methyl)amino]propanamide
CID 111488702
(2R)-N-(4-chlorophenyl)-2-[[(2R)-2-hydroxypropyl]-methylamino]propanamide
CID 124732754
2-[[1-(3-amino-4-methylanilino)-1-oxopropan-2-yl]-methylamino]acetic acid
CID 82224892
N-(3-aminophenyl)-2-[2-methoxyethyl(methyl)amino]propanamide
CID 61429180
N-(3,4-dimethylphenyl)-3-(ethylamino)-2-methylpropanamide
CID 62852690
1-(3,4-dimethylphenyl)-3-(2-methoxyethyl)urea
CID 47135210
2-methyl-3-[methyl-[1-(4-methylanilino)-1-oxopropan-2-yl]amino]propanoic acid
CID 82326707
(2R)-2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 9460877

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3,4-dimethylphenyl)-2-[[(2R)-2-hydroxy-3-methoxypropyl]-methylamino]propanamide?
The IUPAC name of (2R)-N-(3,4-dimethylphenyl)-2-[[(2R)-2-hydroxy-3-methoxypropyl]-methylamino]propanamide (CID 129378013) is (2R)-N-(3,4-dimethylphenyl)-2-[[(2R)-2-hydroxy-3-methoxypropyl]-methylamino]propanamide.
What is the SMILES notation for (2R)-N-(3,4-dimethylphenyl)-2-[[(2R)-2-hydroxy-3-methoxypropyl]-methylamino]propanamide?
The canonical SMILES for (2R)-N-(3,4-dimethylphenyl)-2-[[(2R)-2-hydroxy-3-methoxypropyl]-methylamino]propanamide is COC[C@H](O)CN(C)[C@H](C)C(=O)Nc1ccc(C)c(C)c1.
What is the InChIKey of (2R)-N-(3,4-dimethylphenyl)-2-[[(2R)-2-hydroxy-3-methoxypropyl]-methylamino]propanamide?
The InChIKey is YLELCLFYBOHMMP-UKRRQHHQSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-11-6-7-14(8-12(11)2)17-16(20)13(3)18(4)9-15(19)10-21-5/h6-8,13,15,19H,9-10H2,1-5H3,(H,17,20)/t13-,15-/m1/s1.
What are the key properties of (2R)-N-(3,4-dimethylphenyl)-2-[[(2R)-2-hydroxy-3-methoxypropyl]-methylamino]propanamide?
(2R)-N-(3,4-dimethylphenyl)-2-[[(2R)-2-hydroxy-3-methoxypropyl]-methylamino]propanamide has a molecular weight of 294.40 g/mol, XLogP of 1.57, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3,4-dimethylphenyl)-2-[[(2R)-2-hydroxy-3-methoxypropyl]-methylamino]propanamide is sourced from PubChem (CID 129378013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).