(4-cyano-4,4-diphenylbutan-2-yl)carbamic acid

C18H18N2O2 — CID 174189297

IUPAC(4-cyano-4,4-diphenylbutan-2-yl)carbamic acid
SMILESCC(CC(C#N)(c1ccccc1)c1ccccc1)NC(=O)O
InChIInChI=1S/C18H18N2O2/c1-14(20-17(21)22)12-18(13-19,15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11,14,20H,12H2,1H3,(H,21,22)
InChIKeyHFONLGODOKXKTB-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.54
Rot. Bonds5

About (4-cyano-4,4-diphenylbutan-2-yl)carbamic acid

(4-cyano-4,4-diphenylbutan-2-yl)carbamic acid (PubChem CID 174189297) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is (4-cyano-4,4-diphenylbutan-2-yl)carbamic acid.

Molecular Properties

Compound Name(4-cyano-4,4-diphenylbutan-2-yl)carbamic acid
PubChem CID174189297
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name(4-cyano-4,4-diphenylbutan-2-yl)carbamic acid
SMILESCC(CC(C#N)(c1ccccc1)c1ccccc1)NC(=O)O
InChIInChI=1S/C18H18N2O2/c1-14(20-17(21)22)12-18(13-19,15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11,14,20H,12H2,1H3,(H,21,22)
InChIKeyHFONLGODOKXKTB-UHFFFAOYSA-N
XLogP3.54
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(diethylamino)-2,2-diphenylpentanenitrile;hydrochloride
CID 3032221
2-methyl-3-(methylamino)-N-(4-methyl-4-phenylpentan-2-yl)propanamide
CID 119755787
2-amino-N-(1-cyanopropan-2-yl)-2-phenylpropanamide
CID 62489019
(1-hydroxy-3-methyl-3-phenylbutan-2-yl)carbamic acid
CID 154356432
2-(methylamino)-N-(4-methyl-4-phenylpentan-2-yl)acetamide
CID 119755775
N-[(2R)-4-methyl-4-phenylpentan-2-yl]cyclopropanecarboxamide
CID 95376601
[cyano(diphenyl)methyl]carbamic acid
CID 135056322
N-butan-2-yl-2,2-difluoro-2-phenylacetamide
CID 164554338
methyl 2-cyano-3-methyl-2-phenylbutanoate
CID 141339587
2,2-diphenylpent-4-enenitrile
CID 10681154
2-[(2S)-2-(carboxyamino)propyl]benzoic acid
CID 69006409
6,6-dimethyl-2,2-diphenylheptanenitrile
CID 122487139

Frequently Asked Questions

What is the IUPAC name of (4-cyano-4,4-diphenylbutan-2-yl)carbamic acid?
The IUPAC name of (4-cyano-4,4-diphenylbutan-2-yl)carbamic acid (CID 174189297) is (4-cyano-4,4-diphenylbutan-2-yl)carbamic acid.
What is the SMILES notation for (4-cyano-4,4-diphenylbutan-2-yl)carbamic acid?
The canonical SMILES for (4-cyano-4,4-diphenylbutan-2-yl)carbamic acid is CC(CC(C#N)(c1ccccc1)c1ccccc1)NC(=O)O.
What is the InChIKey of (4-cyano-4,4-diphenylbutan-2-yl)carbamic acid?
The InChIKey is HFONLGODOKXKTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-14(20-17(21)22)12-18(13-19,15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11,14,20H,12H2,1H3,(H,21,22).
What are the key properties of (4-cyano-4,4-diphenylbutan-2-yl)carbamic acid?
(4-cyano-4,4-diphenylbutan-2-yl)carbamic acid has a molecular weight of 294.35 g/mol, XLogP of 3.54, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyano-4,4-diphenylbutan-2-yl)carbamic acid is sourced from PubChem (CID 174189297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).