1-[[4-(diethylaminomethyl)phenyl]methyl]-3-(4-phenylbutan-2-yl)urea

C23H33N3O — CID 75865074

IUPAC1-[[4-(diethylaminomethyl)phenyl]methyl]-3-(4-phenylbutan-2-yl)urea
SMILESCCN(CC)Cc1ccc(CNC(=O)NC(C)CCc2ccccc2)cc1
InChIInChI=1S/C23H33N3O/c1-4-26(5-2)18-22-15-13-21(14-16-22)17-24-23(27)25-19(3)11-12-20-9-7-6-8-10-20/h6-10,13-16,19H,4-5,11-12,17-18H2,1-3H3,(H2,24,25,27)
InChIKeyHKDGVOCAGDDGKL-UHFFFAOYSA-N
MW367.54 g/mol
LogP4.35
Rot. Bonds10

About 1-[[4-(diethylaminomethyl)phenyl]methyl]-3-(4-phenylbutan-2-yl)urea

1-[[4-(diethylaminomethyl)phenyl]methyl]-3-(4-phenylbutan-2-yl)urea (PubChem CID 75865074) has the molecular formula C23H33N3O and a molecular weight of 367.54 g/mol. Its IUPAC name is 1-[[4-(diethylaminomethyl)phenyl]methyl]-3-(4-phenylbutan-2-yl)urea.

Molecular Properties

Compound Name1-[[4-(diethylaminomethyl)phenyl]methyl]-3-(4-phenylbutan-2-yl)urea
PubChem CID75865074
Molecular FormulaC23H33N3O
Molecular Weight367.54 g/mol
Exact Mass367.26
IUPAC Name1-[[4-(diethylaminomethyl)phenyl]methyl]-3-(4-phenylbutan-2-yl)urea
SMILESCCN(CC)Cc1ccc(CNC(=O)NC(C)CCc2ccccc2)cc1
InChIInChI=1S/C23H33N3O/c1-4-26(5-2)18-22-15-13-21(14-16-22)17-24-23(27)25-19(3)11-12-20-9-7-6-8-10-20/h6-10,13-16,19H,4-5,11-12,17-18H2,1-3H3,(H2,24,25,27)
InChIKeyHKDGVOCAGDDGKL-UHFFFAOYSA-N
XLogP4.35
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.54
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-3-butan-2-ylurea
CID 10512480
N-[[4-(diethylaminomethyl)phenyl]methyl]-2-hydroxy-2-phenylacetamide
CID 110879994
1-benzyl-3-[(2R)-1-hydroxypropan-2-yl]urea
CID 94035272
2-amino-N-[[4-(diethylaminomethyl)phenyl]methyl]-3-methylbutanamide;dihydrochloride
CID 119835831
1-[(4-fluorophenyl)methyl]-3-[(2S)-4-(4-hydroxyphenyl)butan-2-yl]urea
CID 38204563
4-amino-N-[[4-(diethylaminomethyl)phenyl]methyl]-2-methylbutanamide
CID 80542537
2-[2-[[4-(diethylaminomethyl)phenyl]methylcarbamoylamino]phenyl]acetamide
CID 86988845
3-methyl-2-(4-phenylbutan-2-ylcarbamoylamino)butanoic acid
CID 5149828
N-[[4-(diethylaminomethyl)phenyl]methyl]-4-(2-phenylethyl)piperazine-1-carboxamide
CID 52543296
2-[2-(4-phenylbutan-2-ylcarbamoylamino)ethoxy]acetic acid
CID 79463522
2-(benzylcarbamoylamino)-N-[2-(4-chlorophenyl)ethyl]-3-methylbutanamide
CID 55544274
4-[2-[[2-(benzylcarbamoylamino)-3-methylbutanoyl]amino]ethyl]benzoic acid
CID 119168687

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(diethylaminomethyl)phenyl]methyl]-3-(4-phenylbutan-2-yl)urea?
The IUPAC name of 1-[[4-(diethylaminomethyl)phenyl]methyl]-3-(4-phenylbutan-2-yl)urea (CID 75865074) is 1-[[4-(diethylaminomethyl)phenyl]methyl]-3-(4-phenylbutan-2-yl)urea.
What is the SMILES notation for 1-[[4-(diethylaminomethyl)phenyl]methyl]-3-(4-phenylbutan-2-yl)urea?
The canonical SMILES for 1-[[4-(diethylaminomethyl)phenyl]methyl]-3-(4-phenylbutan-2-yl)urea is CCN(CC)Cc1ccc(CNC(=O)NC(C)CCc2ccccc2)cc1.
What is the InChIKey of 1-[[4-(diethylaminomethyl)phenyl]methyl]-3-(4-phenylbutan-2-yl)urea?
The InChIKey is HKDGVOCAGDDGKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O/c1-4-26(5-2)18-22-15-13-21(14-16-22)17-24-23(27)25-19(3)11-12-20-9-7-6-8-10-20/h6-10,13-16,19H,4-5,11-12,17-18H2,1-3H3,(H2,24,25,27).
What are the key properties of 1-[[4-(diethylaminomethyl)phenyl]methyl]-3-(4-phenylbutan-2-yl)urea?
1-[[4-(diethylaminomethyl)phenyl]methyl]-3-(4-phenylbutan-2-yl)urea has a molecular weight of 367.54 g/mol, XLogP of 4.35, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(diethylaminomethyl)phenyl]methyl]-3-(4-phenylbutan-2-yl)urea is sourced from PubChem (CID 75865074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).