N-[(2R)-3-[(3-ethylphenyl)methylamino]-2-hydroxypropyl]-3-phenylbenzamide

C25H28N2O2 — CID 70881613

IUPACN-[(2R)-3-[(3-ethylphenyl)methylamino]-2-hydroxypropyl]-3-phenylbenzamide
SMILESCCc1cccc(CNC[C@@H](O)CNC(=O)c2cccc(-c3ccccc3)c2)c1
InChIInChI=1S/C25H28N2O2/c1-2-19-8-6-9-20(14-19)16-26-17-24(28)18-27-25(29)23-13-7-12-22(15-23)21-10-4-3-5-11-21/h3-15,24,26,28H,2,16-18H2,1H3,(H,27,29)/t24-/m1/s1
InChIKeyNKBNFYDDDUCVHM-XMMPIXPASA-N
MW388.51 g/mol
LogP3.80
Rot. Bonds9

About N-[(2R)-3-[(3-ethylphenyl)methylamino]-2-hydroxypropyl]-3-phenylbenzamide

N-[(2R)-3-[(3-ethylphenyl)methylamino]-2-hydroxypropyl]-3-phenylbenzamide (PubChem CID 70881613) has the molecular formula C25H28N2O2 and a molecular weight of 388.51 g/mol. Its IUPAC name is N-[(2R)-3-[(3-ethylphenyl)methylamino]-2-hydroxypropyl]-3-phenylbenzamide.

Molecular Properties

Compound NameN-[(2R)-3-[(3-ethylphenyl)methylamino]-2-hydroxypropyl]-3-phenylbenzamide
PubChem CID70881613
Molecular FormulaC25H28N2O2
Molecular Weight388.51 g/mol
Exact Mass388.22
IUPAC NameN-[(2R)-3-[(3-ethylphenyl)methylamino]-2-hydroxypropyl]-3-phenylbenzamide
SMILESCCc1cccc(CNC[C@@H](O)CNC(=O)c2cccc(-c3ccccc3)c2)c1
InChIInChI=1S/C25H28N2O2/c1-2-19-8-6-9-20(14-19)16-26-17-24(28)18-27-25(29)23-13-7-12-22(15-23)21-10-4-3-5-11-21/h3-15,24,26,28H,2,16-18H2,1H3,(H,27,29)/t24-/m1/s1
InChIKeyNKBNFYDDDUCVHM-XMMPIXPASA-N
XLogP3.80
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 53.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-aminooxy-4-[(3-ethylphenyl)methylamino]butan-2-yl]-3-phenylbenzamide
CID 142242234
1-[(3-ethylphenyl)methylamino]butan-2-ol
CID 142241799
N-[3-[(3-ethylphenyl)methylamino]propyl]benzamide
CID 142242535
N-[3-aminooxy-4-[(3-ethylphenyl)methylamino]butan-2-yl]-3-phenylbenzamide;(E)-2,4-difluoropent-2-ene;prop-1-ene
CID 142242233
N-[3-(2-butyl-1-oxo-3,4-dihydro-2H-thiophen-1-yl)-1-[[3-[(3-ethylphenyl)methylamino]-2-hydroxypropyl]amino]-1-oxopropan-2-yl]benzamide
CID 142242214
1,3-difluoro-5-methylbenzene;N-[3-[(3-ethylphenyl)methylamino]-2-hydroxypropyl]-2-(2-nitrosophenyl)acetamide
CID 142242238
1,3-difluoro-5-methylbenzene;N-[3-[(3-ethylphenyl)methylamino]-2-hydroxypropyl]quinoline-4-carboxamide
CID 142241779
(2S)-2-[[3-(4-ethylphenyl)benzoyl]amino]-3-(4-phenylphenyl)propanoic acid
CID 58717530
N-(2-hydroxy-3-phenylpropyl)-3-propoxybenzamide
CID 111102702
N-[2-(dimethylamino)ethyl]-3-(3-ethylphenyl)benzamide
CID 70827081
N-[(2R,3S)-1-(3,5-difluorophenyl)-4-[(3-ethylphenyl)methylamino]-3-hydroxybutan-2-yl]-5-phenylpyridine-3-carboxamide
CID 70881611
N-[(3-phenylphenyl)methyl]ethanamine
CID 54178417

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3-[(3-ethylphenyl)methylamino]-2-hydroxypropyl]-3-phenylbenzamide?
The IUPAC name of N-[(2R)-3-[(3-ethylphenyl)methylamino]-2-hydroxypropyl]-3-phenylbenzamide (CID 70881613) is N-[(2R)-3-[(3-ethylphenyl)methylamino]-2-hydroxypropyl]-3-phenylbenzamide.
What is the SMILES notation for N-[(2R)-3-[(3-ethylphenyl)methylamino]-2-hydroxypropyl]-3-phenylbenzamide?
The canonical SMILES for N-[(2R)-3-[(3-ethylphenyl)methylamino]-2-hydroxypropyl]-3-phenylbenzamide is CCc1cccc(CNC[C@@H](O)CNC(=O)c2cccc(-c3ccccc3)c2)c1.
What is the InChIKey of N-[(2R)-3-[(3-ethylphenyl)methylamino]-2-hydroxypropyl]-3-phenylbenzamide?
The InChIKey is NKBNFYDDDUCVHM-XMMPIXPASA-N. The full InChI is InChI=1S/C25H28N2O2/c1-2-19-8-6-9-20(14-19)16-26-17-24(28)18-27-25(29)23-13-7-12-22(15-23)21-10-4-3-5-11-21/h3-15,24,26,28H,2,16-18H2,1H3,(H,27,29)/t24-/m1/s1.
What are the key properties of N-[(2R)-3-[(3-ethylphenyl)methylamino]-2-hydroxypropyl]-3-phenylbenzamide?
N-[(2R)-3-[(3-ethylphenyl)methylamino]-2-hydroxypropyl]-3-phenylbenzamide has a molecular weight of 388.51 g/mol, XLogP of 3.80, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-3-[(3-ethylphenyl)methylamino]-2-hydroxypropyl]-3-phenylbenzamide is sourced from PubChem (CID 70881613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).