3-[2-[4-(dimethylamino)phenyl]ethyl]-1-[(2-hydroxycyclohexyl)methyl]-1-methylurea

C19H31N3O2 — CID 110012105

IUPAC3-[2-[4-(dimethylamino)phenyl]ethyl]-1-[(2-hydroxycyclohexyl)methyl]-1-methylurea
SMILESCN(CC1CCCCC1O)C(=O)NCCc1ccc(N(C)C)cc1
InChIInChI=1S/C19H31N3O2/c1-21(2)17-10-8-15(9-11-17)12-13-20-19(24)22(3)14-16-6-4-5-7-18(16)23/h8-11,16,18,23H,4-7,12-14H2,1-3H3,(H,20,24)
InChIKeyORWKZQFOEBRQBK-UHFFFAOYSA-N
MW333.48 g/mol
LogP2.49
Rot. Bonds6

About 3-[2-[4-(dimethylamino)phenyl]ethyl]-1-[(2-hydroxycyclohexyl)methyl]-1-methylurea

3-[2-[4-(dimethylamino)phenyl]ethyl]-1-[(2-hydroxycyclohexyl)methyl]-1-methylurea (PubChem CID 110012105) has the molecular formula C19H31N3O2 and a molecular weight of 333.48 g/mol. Its IUPAC name is 3-[2-[4-(dimethylamino)phenyl]ethyl]-1-[(2-hydroxycyclohexyl)methyl]-1-methylurea.

Molecular Properties

Compound Name3-[2-[4-(dimethylamino)phenyl]ethyl]-1-[(2-hydroxycyclohexyl)methyl]-1-methylurea
PubChem CID110012105
Molecular FormulaC19H31N3O2
Molecular Weight333.48 g/mol
Exact Mass333.24
IUPAC Name3-[2-[4-(dimethylamino)phenyl]ethyl]-1-[(2-hydroxycyclohexyl)methyl]-1-methylurea
SMILESCN(CC1CCCCC1O)C(=O)NCCc1ccc(N(C)C)cc1
InChIInChI=1S/C19H31N3O2/c1-21(2)17-10-8-15(9-11-17)12-13-20-19(24)22(3)14-16-6-4-5-7-18(16)23/h8-11,16,18,23H,4-7,12-14H2,1-3H3,(H,20,24)
InChIKeyORWKZQFOEBRQBK-UHFFFAOYSA-N
XLogP2.49
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

3-[2-(4-ethylphenyl)ethyl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea
CID 109398672
1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea
CID 109397532
1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-(3-phenylpropyl)urea
CID 109397447
1-[(2-hydroxycyclohexyl)methyl]-1-methyl-3-[(4-methylsulfinylphenyl)methyl]urea
CID 86784691
1-[(2-hydroxycyclohexyl)methyl]-1-methyl-3-[2-(4-methyl-1H-indol-3-yl)ethyl]urea
CID 110012348
1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-(2-phenylmethoxyethyl)urea
CID 109398797
3-[(6-chloro-3-pyridinyl)methyl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea
CID 109397875
1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-[2-(2-methyl-1H-indol-3-yl)ethyl]urea
CID 109398586
2-[4-(dimethylamino)phenyl]ethylurea;hydrochloride
CID 3032080
1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-[2-(4-methylphenyl)sulfanylethyl]urea
CID 109397494
N'-[(2-hydroxycyclohexyl)methyl]-N'-methyl-N-(3-phenylpropyl)oxamide
CID 110003852
1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-(3-pyridin-2-ylpropyl)urea
CID 75432521

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(dimethylamino)phenyl]ethyl]-1-[(2-hydroxycyclohexyl)methyl]-1-methylurea?
The IUPAC name of 3-[2-[4-(dimethylamino)phenyl]ethyl]-1-[(2-hydroxycyclohexyl)methyl]-1-methylurea (CID 110012105) is 3-[2-[4-(dimethylamino)phenyl]ethyl]-1-[(2-hydroxycyclohexyl)methyl]-1-methylurea.
What is the SMILES notation for 3-[2-[4-(dimethylamino)phenyl]ethyl]-1-[(2-hydroxycyclohexyl)methyl]-1-methylurea?
The canonical SMILES for 3-[2-[4-(dimethylamino)phenyl]ethyl]-1-[(2-hydroxycyclohexyl)methyl]-1-methylurea is CN(CC1CCCCC1O)C(=O)NCCc1ccc(N(C)C)cc1.
What is the InChIKey of 3-[2-[4-(dimethylamino)phenyl]ethyl]-1-[(2-hydroxycyclohexyl)methyl]-1-methylurea?
The InChIKey is ORWKZQFOEBRQBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O2/c1-21(2)17-10-8-15(9-11-17)12-13-20-19(24)22(3)14-16-6-4-5-7-18(16)23/h8-11,16,18,23H,4-7,12-14H2,1-3H3,(H,20,24).
What are the key properties of 3-[2-[4-(dimethylamino)phenyl]ethyl]-1-[(2-hydroxycyclohexyl)methyl]-1-methylurea?
3-[2-[4-(dimethylamino)phenyl]ethyl]-1-[(2-hydroxycyclohexyl)methyl]-1-methylurea has a molecular weight of 333.48 g/mol, XLogP of 2.49, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(dimethylamino)phenyl]ethyl]-1-[(2-hydroxycyclohexyl)methyl]-1-methylurea is sourced from PubChem (CID 110012105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).