1-[2-(dimethylamino)-1-phenylethyl]-3-(5-methylhexan-2-yl)urea

C18H31N3O — CID 78881535

IUPAC1-[2-(dimethylamino)-1-phenylethyl]-3-(5-methylhexan-2-yl)urea
SMILESCC(C)CCC(C)NC(=O)NC(CN(C)C)c1ccccc1
InChIInChI=1S/C18H31N3O/c1-14(2)11-12-15(3)19-18(22)20-17(13-21(4)5)16-9-7-6-8-10-16/h6-10,14-15,17H,11-13H2,1-5H3,(H2,19,20,22)
InChIKeyHZXCOBCLGQNYQG-UHFFFAOYSA-N
MW305.47 g/mol
LogP3.41
Rot. Bonds8

About 1-[2-(dimethylamino)-1-phenylethyl]-3-(5-methylhexan-2-yl)urea

1-[2-(dimethylamino)-1-phenylethyl]-3-(5-methylhexan-2-yl)urea (PubChem CID 78881535) has the molecular formula C18H31N3O and a molecular weight of 305.47 g/mol. Its IUPAC name is 1-[2-(dimethylamino)-1-phenylethyl]-3-(5-methylhexan-2-yl)urea.

Molecular Properties

Compound Name1-[2-(dimethylamino)-1-phenylethyl]-3-(5-methylhexan-2-yl)urea
PubChem CID78881535
Molecular FormulaC18H31N3O
Molecular Weight305.47 g/mol
Exact Mass305.25
IUPAC Name1-[2-(dimethylamino)-1-phenylethyl]-3-(5-methylhexan-2-yl)urea
SMILESCC(C)CCC(C)NC(=O)NC(CN(C)C)c1ccccc1
InChIInChI=1S/C18H31N3O/c1-14(2)11-12-15(3)19-18(22)20-17(13-21(4)5)16-9-7-6-8-10-16/h6-10,14-15,17H,11-13H2,1-5H3,(H2,19,20,22)
InChIKeyHZXCOBCLGQNYQG-UHFFFAOYSA-N
XLogP3.41
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.47
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(dimethylamino)-1-phenylethyl]-3-(1-thiophen-2-ylpropan-2-yl)urea
CID 78880248
1-(5-methylhexan-2-yl)-3-(1-phenylethyl)urea
CID 78834581
1-[2-(dimethylamino)-1-phenylethyl]-3-[1-(2-methylphenyl)ethyl]urea
CID 86993436
1-[1-(4-chlorophenyl)ethyl]-3-[2-(dimethylamino)-1-phenylethyl]urea
CID 78881674
2-(5-methylhexan-2-ylcarbamoylamino)-2-phenylacetic acid
CID 63927354
2-bromo-N-[2-(dimethylamino)-1-phenylethyl]propanamide
CID 107904840
1-[2-(dimethylamino)-1-phenylethyl]-3-(2-methyl-2-phenylpropyl)urea
CID 78880258
1-[2-(dimethylamino)-1-phenylethyl]-3-[3-(2-methylpropoxy)propyl]urea
CID 86994311
3-amino-N-[2-(dimethylamino)-1-phenylethyl]-2-methyl-3-phenylpropanamide
CID 119836141
5-amino-N-[2-(dimethylamino)-1-phenylethyl]hexanamide
CID 82851272
phenyl N-[2-(dimethylamino)-1-phenylethyl]carbamate
CID 60676334
1-[(1S)-2-hydroxy-1-phenylethyl]-3-(1-methylsulfanylpropan-2-yl)urea
CID 75517861

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)-1-phenylethyl]-3-(5-methylhexan-2-yl)urea?
The IUPAC name of 1-[2-(dimethylamino)-1-phenylethyl]-3-(5-methylhexan-2-yl)urea (CID 78881535) is 1-[2-(dimethylamino)-1-phenylethyl]-3-(5-methylhexan-2-yl)urea.
What is the SMILES notation for 1-[2-(dimethylamino)-1-phenylethyl]-3-(5-methylhexan-2-yl)urea?
The canonical SMILES for 1-[2-(dimethylamino)-1-phenylethyl]-3-(5-methylhexan-2-yl)urea is CC(C)CCC(C)NC(=O)NC(CN(C)C)c1ccccc1.
What is the InChIKey of 1-[2-(dimethylamino)-1-phenylethyl]-3-(5-methylhexan-2-yl)urea?
The InChIKey is HZXCOBCLGQNYQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O/c1-14(2)11-12-15(3)19-18(22)20-17(13-21(4)5)16-9-7-6-8-10-16/h6-10,14-15,17H,11-13H2,1-5H3,(H2,19,20,22).
What are the key properties of 1-[2-(dimethylamino)-1-phenylethyl]-3-(5-methylhexan-2-yl)urea?
1-[2-(dimethylamino)-1-phenylethyl]-3-(5-methylhexan-2-yl)urea has a molecular weight of 305.47 g/mol, XLogP of 3.41, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)-1-phenylethyl]-3-(5-methylhexan-2-yl)urea is sourced from PubChem (CID 78881535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).