4-(dimethylamino)-N-[hydroxy(phenyl)methyl]-2-phenylbutanamide

C19H24N2O2 — CID 70437831

IUPAC4-(dimethylamino)-N-[hydroxy(phenyl)methyl]-2-phenylbutanamide
SMILESCN(C)CCC(C(=O)NC(O)c1ccccc1)c1ccccc1
InChIInChI=1S/C19H24N2O2/c1-21(2)14-13-17(15-9-5-3-6-10-15)19(23)20-18(22)16-11-7-4-8-12-16/h3-12,17-18,22H,13-14H2,1-2H3,(H,20,23)
InChIKeyIEMMHPLDKJWWSQ-UHFFFAOYSA-N
MW312.41 g/mol
LogP2.53
Rot. Bonds7

About 4-(dimethylamino)-N-[hydroxy(phenyl)methyl]-2-phenylbutanamide

4-(dimethylamino)-N-[hydroxy(phenyl)methyl]-2-phenylbutanamide (PubChem CID 70437831) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 4-(dimethylamino)-N-[hydroxy(phenyl)methyl]-2-phenylbutanamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-[hydroxy(phenyl)methyl]-2-phenylbutanamide
PubChem CID70437831
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name4-(dimethylamino)-N-[hydroxy(phenyl)methyl]-2-phenylbutanamide
SMILESCN(C)CCC(C(=O)NC(O)c1ccccc1)c1ccccc1
InChIInChI=1S/C19H24N2O2/c1-21(2)14-13-17(15-9-5-3-6-10-15)19(23)20-18(22)16-11-7-4-8-12-16/h3-12,17-18,22H,13-14H2,1-2H3,(H,20,23)
InChIKeyIEMMHPLDKJWWSQ-UHFFFAOYSA-N
XLogP2.53
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

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CID 57180909
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-phenylpentanamide
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CID 71524721
3-[2-(dimethylamino)ethylcarbamoylamino]-2-phenylpropanoic acid
CID 62876756
methyl 3-[2-(dimethylamino)ethylamino]-2-phenylpropanoate
CID 64565637
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CID 120994237
N',N'-dimethyl-1-phenylpropane-1,3-diamine
CID 25248080
3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2-phenylpropanoic acid
CID 63068325
2-(dimethylamino)ethyl 2-hydroxy-2-phenylacetate
CID 23617342
(1S)-N,N,N',N'-tetramethyl-1-phenylethane-1,2-diamine
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N-[(1R)-3-(dimethylamino)-1-phenylpropyl]-2-(3-methylpyrazol-1-yl)acetamide
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CID 3027100

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-[hydroxy(phenyl)methyl]-2-phenylbutanamide?
The IUPAC name of 4-(dimethylamino)-N-[hydroxy(phenyl)methyl]-2-phenylbutanamide (CID 70437831) is 4-(dimethylamino)-N-[hydroxy(phenyl)methyl]-2-phenylbutanamide.
What is the SMILES notation for 4-(dimethylamino)-N-[hydroxy(phenyl)methyl]-2-phenylbutanamide?
The canonical SMILES for 4-(dimethylamino)-N-[hydroxy(phenyl)methyl]-2-phenylbutanamide is CN(C)CCC(C(=O)NC(O)c1ccccc1)c1ccccc1.
What is the InChIKey of 4-(dimethylamino)-N-[hydroxy(phenyl)methyl]-2-phenylbutanamide?
The InChIKey is IEMMHPLDKJWWSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-21(2)14-13-17(15-9-5-3-6-10-15)19(23)20-18(22)16-11-7-4-8-12-16/h3-12,17-18,22H,13-14H2,1-2H3,(H,20,23).
What are the key properties of 4-(dimethylamino)-N-[hydroxy(phenyl)methyl]-2-phenylbutanamide?
4-(dimethylamino)-N-[hydroxy(phenyl)methyl]-2-phenylbutanamide has a molecular weight of 312.41 g/mol, XLogP of 2.53, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-[hydroxy(phenyl)methyl]-2-phenylbutanamide is sourced from PubChem (CID 70437831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).