(6R)-6-[benzhydryl-[(1R)-2-hydroxy-1-phenylethyl]amino]nonan-2-one

C30H37NO2 — CID 10694563

IUPAC(6R)-6-[benzhydryl-[(1R)-2-hydroxy-1-phenylethyl]amino]nonan-2-one
SMILESCCC[C@H](CCCC(C)=O)N(C(c1ccccc1)c1ccccc1)[C@@H](CO)c1ccccc1
InChIInChI=1S/C30H37NO2/c1-3-14-28(22-13-15-24(2)33)31(29(23-32)25-16-7-4-8-17-25)30(26-18-9-5-10-19-26)27-20-11-6-12-21-27/h4-12,16-21,28-30,32H,3,13-15,22-23H2,1-2H3/t28-,29+/m1/s1
InChIKeyVCAPPEWNDAOTOU-WDYNHAJCSA-N
MW443.63 g/mol
LogP6.74
Rot. Bonds13

About (6R)-6-[benzhydryl-[(1R)-2-hydroxy-1-phenylethyl]amino]nonan-2-one

(6R)-6-[benzhydryl-[(1R)-2-hydroxy-1-phenylethyl]amino]nonan-2-one (PubChem CID 10694563) has the molecular formula C30H37NO2 and a molecular weight of 443.63 g/mol. Its IUPAC name is (6R)-6-[benzhydryl-[(1R)-2-hydroxy-1-phenylethyl]amino]nonan-2-one.

Molecular Properties

Compound Name(6R)-6-[benzhydryl-[(1R)-2-hydroxy-1-phenylethyl]amino]nonan-2-one
PubChem CID10694563
Molecular FormulaC30H37NO2
Molecular Weight443.63 g/mol
Exact Mass443.28
IUPAC Name(6R)-6-[benzhydryl-[(1R)-2-hydroxy-1-phenylethyl]amino]nonan-2-one
SMILESCCC[C@H](CCCC(C)=O)N(C(c1ccccc1)c1ccccc1)[C@@H](CO)c1ccccc1
InChIInChI=1S/C30H37NO2/c1-3-14-28(22-13-15-24(2)33)31(29(23-32)25-16-7-4-8-17-25)30(26-18-9-5-10-19-26)27-20-11-6-12-21-27/h4-12,16-21,28-30,32H,3,13-15,22-23H2,1-2H3/t28-,29+/m1/s1
InChIKeyVCAPPEWNDAOTOU-WDYNHAJCSA-N
XLogP6.74
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.63
LogP ≤ 56.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (6R)-6-[benzhydryl-[(1R)-2-hydroxy-1-phenylethyl]amino]nonan-2-one with MolForge

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Related Compounds

N-benzhydryl-N-pentan-2-ylpentan-2-amine
CID 175505077
(2R)-2-[benzhydryl-[(1R)-1-thiophen-2-ylethyl]amino]-2-phenylethanol
CID 10409506
(2R)-2-[methyl-[(1R)-1-phenylethyl]amino]-2-phenylethanol
CID 14738807
4-[1-phenylbutyl(propan-2-yl)amino]butanoic acid
CID 65058820
ethyl N-(ethoxycarbonylamino)-N-(5-oxo-1-phenylhexyl)carbamate
CID 71507971
6-(1-phenylethoxy)hexan-2-one
CID 62030605
N-benzyl-N-[(1R)-2-hydroxy-1-phenylethyl]butanamide
CID 11748505
(2R)-2-[amino(methyl)amino]-2-phenylethanol
CID 11693961
(2R)-2-(diethylamino)-2-phenylethanol
CID 13119692
(2R)-2-(dimethylamino)-2-phenylethanol
CID 10888273
2-[[(1R)-2-hydroxy-1-phenylethyl]-undecylamino]acetic acid
CID 101244047
ethane;pentan-2-one;3-phenylheptan-2-one
CID 143360194

Frequently Asked Questions

What is the IUPAC name of (6R)-6-[benzhydryl-[(1R)-2-hydroxy-1-phenylethyl]amino]nonan-2-one?
The IUPAC name of (6R)-6-[benzhydryl-[(1R)-2-hydroxy-1-phenylethyl]amino]nonan-2-one (CID 10694563) is (6R)-6-[benzhydryl-[(1R)-2-hydroxy-1-phenylethyl]amino]nonan-2-one.
What is the SMILES notation for (6R)-6-[benzhydryl-[(1R)-2-hydroxy-1-phenylethyl]amino]nonan-2-one?
The canonical SMILES for (6R)-6-[benzhydryl-[(1R)-2-hydroxy-1-phenylethyl]amino]nonan-2-one is CCC[C@H](CCCC(C)=O)N(C(c1ccccc1)c1ccccc1)[C@@H](CO)c1ccccc1.
What is the InChIKey of (6R)-6-[benzhydryl-[(1R)-2-hydroxy-1-phenylethyl]amino]nonan-2-one?
The InChIKey is VCAPPEWNDAOTOU-WDYNHAJCSA-N. The full InChI is InChI=1S/C30H37NO2/c1-3-14-28(22-13-15-24(2)33)31(29(23-32)25-16-7-4-8-17-25)30(26-18-9-5-10-19-26)27-20-11-6-12-21-27/h4-12,16-21,28-30,32H,3,13-15,22-23H2,1-2H3/t28-,29+/m1/s1.
What are the key properties of (6R)-6-[benzhydryl-[(1R)-2-hydroxy-1-phenylethyl]amino]nonan-2-one?
(6R)-6-[benzhydryl-[(1R)-2-hydroxy-1-phenylethyl]amino]nonan-2-one has a molecular weight of 443.63 g/mol, XLogP of 6.74, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-[benzhydryl-[(1R)-2-hydroxy-1-phenylethyl]amino]nonan-2-one is sourced from PubChem (CID 10694563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).