(3R)-N-(2-hydroxyethyl)-N-[(3-methylimidazol-4-yl)methyl]-3-phenylbutanamide

C17H23N3O2 — CID 135106882

IUPAC(3R)-N-(2-hydroxyethyl)-N-[(3-methylimidazol-4-yl)methyl]-3-phenylbutanamide
SMILESC[C@H](CC(=O)N(CCO)Cc1cncn1C)c1ccccc1
InChIInChI=1S/C17H23N3O2/c1-14(15-6-4-3-5-7-15)10-17(22)20(8-9-21)12-16-11-18-13-19(16)2/h3-7,11,13-14,21H,8-10,12H2,1-2H3/t14-/m1/s1
InChIKeyZVCLSXWCCMXAOT-CQSZACIVSA-N
MW301.39 g/mol
LogP1.93
Rot. Bonds7

About (3R)-N-(2-hydroxyethyl)-N-[(3-methylimidazol-4-yl)methyl]-3-phenylbutanamide

(3R)-N-(2-hydroxyethyl)-N-[(3-methylimidazol-4-yl)methyl]-3-phenylbutanamide (PubChem CID 135106882) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is (3R)-N-(2-hydroxyethyl)-N-[(3-methylimidazol-4-yl)methyl]-3-phenylbutanamide.

Molecular Properties

Compound Name(3R)-N-(2-hydroxyethyl)-N-[(3-methylimidazol-4-yl)methyl]-3-phenylbutanamide
PubChem CID135106882
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name(3R)-N-(2-hydroxyethyl)-N-[(3-methylimidazol-4-yl)methyl]-3-phenylbutanamide
SMILESC[C@H](CC(=O)N(CCO)Cc1cncn1C)c1ccccc1
InChIInChI=1S/C17H23N3O2/c1-14(15-6-4-3-5-7-15)10-17(22)20(8-9-21)12-16-11-18-13-19(16)2/h3-7,11,13-14,21H,8-10,12H2,1-2H3/t14-/m1/s1
InChIKeyZVCLSXWCCMXAOT-CQSZACIVSA-N
XLogP1.93
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxyethyl)-3-methyl-N-[(3-methylimidazol-4-yl)methyl]-3-phenylbutanamide
CID 135089433
N-benzyl-N-(2-hydroxyethyl)-3-phenylbutanamide
CID 110878165
N-(2-hydroxyethyl)-N-[(3-methylimidazol-4-yl)methyl]-3-(4-methylphenyl)propanamide
CID 135090684
2-[(3-methylimidazol-4-yl)methyl-(2-phenylethyl)amino]ethanol
CID 135120617
N-benzyl-N-(2-hydroxyethyl)-3-methylpentanamide
CID 114875389
N-benzyl-N-ethyl-3-pyridin-3-ylbutanamide
CID 110648244
4-amino-N-benzyl-N-(2-hydroxyethyl)-3-methylbutanamide
CID 81086515
2-[(2-butan-2-yloxyphenyl)methyl-[(3-methylimidazol-4-yl)methyl]amino]ethanol
CID 135099559
N,N-diethyl-3-pyridin-3-ylbutanamide
CID 110649111
2-[carboxymethyl-[(3-methylimidazol-4-yl)methyl]amino]acetic acid
CID 66116320
1-(4-chlorophenyl)-N-(2-hydroxyethyl)-N-[(3-methylimidazol-4-yl)methyl]cyclohexane-1-carboxamide
CID 135110957
2-amino-N-ethyl-N-(2-hydroxyethyl)-2-phenylacetamide;hydrochloride
CID 110897047

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(2-hydroxyethyl)-N-[(3-methylimidazol-4-yl)methyl]-3-phenylbutanamide?
The IUPAC name of (3R)-N-(2-hydroxyethyl)-N-[(3-methylimidazol-4-yl)methyl]-3-phenylbutanamide (CID 135106882) is (3R)-N-(2-hydroxyethyl)-N-[(3-methylimidazol-4-yl)methyl]-3-phenylbutanamide.
What is the SMILES notation for (3R)-N-(2-hydroxyethyl)-N-[(3-methylimidazol-4-yl)methyl]-3-phenylbutanamide?
The canonical SMILES for (3R)-N-(2-hydroxyethyl)-N-[(3-methylimidazol-4-yl)methyl]-3-phenylbutanamide is C[C@H](CC(=O)N(CCO)Cc1cncn1C)c1ccccc1.
What is the InChIKey of (3R)-N-(2-hydroxyethyl)-N-[(3-methylimidazol-4-yl)methyl]-3-phenylbutanamide?
The InChIKey is ZVCLSXWCCMXAOT-CQSZACIVSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-14(15-6-4-3-5-7-15)10-17(22)20(8-9-21)12-16-11-18-13-19(16)2/h3-7,11,13-14,21H,8-10,12H2,1-2H3/t14-/m1/s1.
What are the key properties of (3R)-N-(2-hydroxyethyl)-N-[(3-methylimidazol-4-yl)methyl]-3-phenylbutanamide?
(3R)-N-(2-hydroxyethyl)-N-[(3-methylimidazol-4-yl)methyl]-3-phenylbutanamide has a molecular weight of 301.39 g/mol, XLogP of 1.93, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(2-hydroxyethyl)-N-[(3-methylimidazol-4-yl)methyl]-3-phenylbutanamide is sourced from PubChem (CID 135106882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).