1-benzhydryl-3-[(E)-3,3-dimethylbut-1-enyl]urea

C20H24N2O — CID 108911309

IUPAC1-benzhydryl-3-[(E)-3,3-dimethylbut-1-enyl]urea
SMILESCC(C)(C)/C=C/NC(=O)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H24N2O/c1-20(2,3)14-15-21-19(23)22-18(16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-15,18H,1-3H3,(H2,21,22,23)/b15-14+
InChIKeyLFZDUFDPKPSSNZ-CCEZHUSRSA-N
MW308.43 g/mol
LogP4.64
Rot. Bonds4

About 1-benzhydryl-3-[(E)-3,3-dimethylbut-1-enyl]urea

1-benzhydryl-3-[(E)-3,3-dimethylbut-1-enyl]urea (PubChem CID 108911309) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is 1-benzhydryl-3-[(E)-3,3-dimethylbut-1-enyl]urea.

Molecular Properties

Compound Name1-benzhydryl-3-[(E)-3,3-dimethylbut-1-enyl]urea
PubChem CID108911309
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC Name1-benzhydryl-3-[(E)-3,3-dimethylbut-1-enyl]urea
SMILESCC(C)(C)/C=C/NC(=O)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H24N2O/c1-20(2,3)14-15-21-19(23)22-18(16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-15,18H,1-3H3,(H2,21,22,23)/b15-14+
InChIKeyLFZDUFDPKPSSNZ-CCEZHUSRSA-N
XLogP4.64
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-(3,3-dimethylbut-1-enyl)benzamide
CID 134831914
1-benzhydryl-3-[(E)-2-(3-methoxyphenyl)ethenyl]urea
CID 108905741
2-(benzhydrylamino)-2-methylpropanoic acid
CID 174216539
N-(benzhydrylcarbamoylamino)formamide
CID 86019653
1-(1-phenylethyl)-3-[(E)-2,3,3-trimethylbut-1-enyl]urea
CID 108914983
N-[(R)-(4-chlorophenyl)-phenylmethyl]-2,2-dimethylpropanamide
CID 134948149
1-[(E)-3,3-dimethylbut-1-enyl]-3-naphthalen-2-ylurea
CID 108911462
N-[4-(benzhydrylcarbamoylamino)phenyl]acetamide
CID 108867378
1-benzhydryl-3-(4-hydroxy-2,2-dimethylpentyl)urea
CID 111503860
N-benzhydrylbut-2-enamide
CID 78906490
N-(benzhydrylcarbamoyl)benzamide
CID 2850647
2-(benzhydrylcarbamoylamino)acetic acid
CID 43445708

Frequently Asked Questions

What is the IUPAC name of 1-benzhydryl-3-[(E)-3,3-dimethylbut-1-enyl]urea?
The IUPAC name of 1-benzhydryl-3-[(E)-3,3-dimethylbut-1-enyl]urea (CID 108911309) is 1-benzhydryl-3-[(E)-3,3-dimethylbut-1-enyl]urea.
What is the SMILES notation for 1-benzhydryl-3-[(E)-3,3-dimethylbut-1-enyl]urea?
The canonical SMILES for 1-benzhydryl-3-[(E)-3,3-dimethylbut-1-enyl]urea is CC(C)(C)/C=C/NC(=O)NC(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-benzhydryl-3-[(E)-3,3-dimethylbut-1-enyl]urea?
The InChIKey is LFZDUFDPKPSSNZ-CCEZHUSRSA-N. The full InChI is InChI=1S/C20H24N2O/c1-20(2,3)14-15-21-19(23)22-18(16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-15,18H,1-3H3,(H2,21,22,23)/b15-14+.
What are the key properties of 1-benzhydryl-3-[(E)-3,3-dimethylbut-1-enyl]urea?
1-benzhydryl-3-[(E)-3,3-dimethylbut-1-enyl]urea has a molecular weight of 308.43 g/mol, XLogP of 4.64, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzhydryl-3-[(E)-3,3-dimethylbut-1-enyl]urea is sourced from PubChem (CID 108911309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).