3,3-diphenylpropan-1-ol;N-(2-methylpropyl)formamide

C20H27NO2 — CID 19909929

IUPAC3,3-diphenylpropan-1-ol;N-(2-methylpropyl)formamide
SMILESCC(C)CNC=O.OCCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C15H16O.C5H11NO/c16-12-11-15(13-7-3-1-4-8-13)14-9-5-2-6-10-14;1-5(2)3-6-4-7/h1-10,15-16H,11-12H2;4-5H,3H2,1-2H3,(H,6,7)
InChIKeyKFHUEFGVWMKJNR-UHFFFAOYSA-N
MW313.44 g/mol
LogP3.59
Rot. Bonds7

About 3,3-diphenylpropan-1-ol;N-(2-methylpropyl)formamide

3,3-diphenylpropan-1-ol;N-(2-methylpropyl)formamide (PubChem CID 19909929) has the molecular formula C20H27NO2 and a molecular weight of 313.44 g/mol. Its IUPAC name is 3,3-diphenylpropan-1-ol;N-(2-methylpropyl)formamide.

Molecular Properties

Compound Name3,3-diphenylpropan-1-ol;N-(2-methylpropyl)formamide
PubChem CID19909929
Molecular FormulaC20H27NO2
Molecular Weight313.44 g/mol
Exact Mass313.20
IUPAC Name3,3-diphenylpropan-1-ol;N-(2-methylpropyl)formamide
SMILESCC(C)CNC=O.OCCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C15H16O.C5H11NO/c16-12-11-15(13-7-3-1-4-8-13)14-9-5-2-6-10-14;1-5(2)3-6-4-7/h1-10,15-16H,11-12H2;4-5H,3H2,1-2H3,(H,6,7)
InChIKeyKFHUEFGVWMKJNR-UHFFFAOYSA-N
XLogP3.59
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-[(2S)-2-phenylbutyl]formamide
CID 124705740
(3S)-3-phenyl-3-pyridin-4-ylpropan-1-ol
CID 26792906
[4-(3-hydroxy-1-phenylpropyl)phenyl] 4-methylpentanoate
CID 70213206
3-(2-methylpropylamino)-2-phenylpropan-1-ol
CID 115876691
2-(2-methylpropylamino)-1-phenylethanol
CID 3939463
2-amino-N-(2,2-diphenylethyl)-6-formamidohexanamide
CID 145294466
N-methyl-4,4-diphenylbutanamide
CID 125470248
3-formamido-2-oxo-N-(1-phenylethyl)propanamide
CID 142267744
4-hydroxy-2-(1-phenylethylcarbamoylamino)butanoic acid
CID 61244988
2-methyl-N-(2-phenylpropyl)propan-1-amine;hydrochloride
CID 17157782
(2S)-2-(2,2-diphenylethylcarbamoylamino)propanoic acid
CID 2005904
(E)-3-(2-methylpropylamino)-1-phenylprop-2-en-1-one
CID 23591201

Frequently Asked Questions

What is the IUPAC name of 3,3-diphenylpropan-1-ol;N-(2-methylpropyl)formamide?
The IUPAC name of 3,3-diphenylpropan-1-ol;N-(2-methylpropyl)formamide (CID 19909929) is 3,3-diphenylpropan-1-ol;N-(2-methylpropyl)formamide.
What is the SMILES notation for 3,3-diphenylpropan-1-ol;N-(2-methylpropyl)formamide?
The canonical SMILES for 3,3-diphenylpropan-1-ol;N-(2-methylpropyl)formamide is CC(C)CNC=O.OCCC(c1ccccc1)c1ccccc1.
What is the InChIKey of 3,3-diphenylpropan-1-ol;N-(2-methylpropyl)formamide?
The InChIKey is KFHUEFGVWMKJNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O.C5H11NO/c16-12-11-15(13-7-3-1-4-8-13)14-9-5-2-6-10-14;1-5(2)3-6-4-7/h1-10,15-16H,11-12H2;4-5H,3H2,1-2H3,(H,6,7).
What are the key properties of 3,3-diphenylpropan-1-ol;N-(2-methylpropyl)formamide?
3,3-diphenylpropan-1-ol;N-(2-methylpropyl)formamide has a molecular weight of 313.44 g/mol, XLogP of 3.59, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diphenylpropan-1-ol;N-(2-methylpropyl)formamide is sourced from PubChem (CID 19909929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).