[4-(diethylamino)-2,2-diphenylbutyl]carbamic acid

C21H28N2O2 — CID 22767225

IUPAC[4-(diethylamino)-2,2-diphenylbutyl]carbamic acid
SMILESCCN(CC)CCC(CNC(=O)O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H28N2O2/c1-3-23(4-2)16-15-21(17-22-20(24)25,18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-14,22H,3-4,15-17H2,1-2H3,(H,24,25)
InChIKeyKQKJIXQFTDVHHW-UHFFFAOYSA-N
MW340.47 g/mol
LogP3.97
Rot. Bonds9

About [4-(diethylamino)-2,2-diphenylbutyl]carbamic acid

[4-(diethylamino)-2,2-diphenylbutyl]carbamic acid (PubChem CID 22767225) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is [4-(diethylamino)-2,2-diphenylbutyl]carbamic acid.

Molecular Properties

Compound Name[4-(diethylamino)-2,2-diphenylbutyl]carbamic acid
PubChem CID22767225
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC Name[4-(diethylamino)-2,2-diphenylbutyl]carbamic acid
SMILESCCN(CC)CCC(CNC(=O)O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H28N2O2/c1-3-23(4-2)16-15-21(17-22-20(24)25,18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-14,22H,3-4,15-17H2,1-2H3,(H,24,25)
InChIKeyKQKJIXQFTDVHHW-UHFFFAOYSA-N
XLogP3.97
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 4-(diethylamino)-2-(methylamino)-2-phenylbutanoate
CID 116693533
N-[3-(diethylamino)propyl]-2,2-diphenylpropanamide
CID 57179015
N,N-diethyl-3-methyl-3,5-diphenylpentan-1-amine
CID 57175425
ethyl 5-[di(propan-2-yl)amino]-3,3-diphenylpentanoate
CID 10215894
N-[2-[2-(diethylamino)ethoxy]ethyl]-4-methyl-4-phenylpentanamide
CID 110425742
3-(2-methyl-2-phenylpropyl)-1,1-dipropylurea
CID 113213255
N',N'-diethyl-N-(2-methyl-2-phenylpropyl)ethane-1,2-diamine
CID 54886399
methyl N-(2,2-diphenylpent-4-enyl)carbamate
CID 135072663
4-[ethyl(2-methylpropyl)amino]-2-(methylamino)-2-phenylbutanamide
CID 116693639
2-[2-(diethylamino)ethyl-(2-tritylsulfanylethyl)amino]-N-(2-tritylsulfanylethyl)acetamide
CID 11828805
2-[2-(diethylamino)ethylcarbamoyl]benzoic acid
CID 17218370
1,1-dimethyl-3-(2-methyl-2-phenylpropyl)urea
CID 110459934

Frequently Asked Questions

What is the IUPAC name of [4-(diethylamino)-2,2-diphenylbutyl]carbamic acid?
The IUPAC name of [4-(diethylamino)-2,2-diphenylbutyl]carbamic acid (CID 22767225) is [4-(diethylamino)-2,2-diphenylbutyl]carbamic acid.
What is the SMILES notation for [4-(diethylamino)-2,2-diphenylbutyl]carbamic acid?
The canonical SMILES for [4-(diethylamino)-2,2-diphenylbutyl]carbamic acid is CCN(CC)CCC(CNC(=O)O)(c1ccccc1)c1ccccc1.
What is the InChIKey of [4-(diethylamino)-2,2-diphenylbutyl]carbamic acid?
The InChIKey is KQKJIXQFTDVHHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2/c1-3-23(4-2)16-15-21(17-22-20(24)25,18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-14,22H,3-4,15-17H2,1-2H3,(H,24,25).
What are the key properties of [4-(diethylamino)-2,2-diphenylbutyl]carbamic acid?
[4-(diethylamino)-2,2-diphenylbutyl]carbamic acid has a molecular weight of 340.47 g/mol, XLogP of 3.97, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(diethylamino)-2,2-diphenylbutyl]carbamic acid is sourced from PubChem (CID 22767225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).