1-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]-3-(2-cyclopropyl-1-hydroxypropan-2-yl)urea

C17H26ClN3O2 — CID 84587623

IUPAC1-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]-3-(2-cyclopropyl-1-hydroxypropan-2-yl)urea
SMILESCN(C)C(CNC(=O)NC(C)(CO)C1CC1)c1ccc(Cl)cc1
InChIInChI=1S/C17H26ClN3O2/c1-17(11-22,13-6-7-13)20-16(23)19-10-15(21(2)3)12-4-8-14(18)9-5-12/h4-5,8-9,13,15,22H,6-7,10-11H2,1-3H3,(H2,19,20,23)
InChIKeyULTZZJKEUBLZNQ-UHFFFAOYSA-N
MW339.87 g/mol
LogP2.40
Rot. Bonds7

About 1-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]-3-(2-cyclopropyl-1-hydroxypropan-2-yl)urea

1-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]-3-(2-cyclopropyl-1-hydroxypropan-2-yl)urea (PubChem CID 84587623) has the molecular formula C17H26ClN3O2 and a molecular weight of 339.87 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]-3-(2-cyclopropyl-1-hydroxypropan-2-yl)urea.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]-3-(2-cyclopropyl-1-hydroxypropan-2-yl)urea
PubChem CID84587623
Molecular FormulaC17H26ClN3O2
Molecular Weight339.87 g/mol
Exact Mass339.17
IUPAC Name1-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]-3-(2-cyclopropyl-1-hydroxypropan-2-yl)urea
SMILESCN(C)C(CNC(=O)NC(C)(CO)C1CC1)c1ccc(Cl)cc1
InChIInChI=1S/C17H26ClN3O2/c1-17(11-22,13-6-7-13)20-16(23)19-10-15(21(2)3)12-4-8-14(18)9-5-12/h4-5,8-9,13,15,22H,6-7,10-11H2,1-3H3,(H2,19,20,23)
InChIKeyULTZZJKEUBLZNQ-UHFFFAOYSA-N
XLogP2.40
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.87
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-tert-butyl-3-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]urea
CID 7496154
1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-[1-(3,4-difluorophenyl)ethyl]urea
CID 71969083
(3R)-N-[(2R)-2-(4-chlorophenyl)-2-(dimethylamino)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 96997784
2-amino-N-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]propanamide
CID 110460165
3-amino-N-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]propanamide
CID 110460305
1-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-3-(2-cyclopropyl-1-hydroxypropan-2-yl)urea
CID 111976450
1-(4-chlorophenyl)-3-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]urea
CID 43001414
1-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]-3-cyclopropyl-2-methylguanidine
CID 111549385
(1R,2R,4R)-N-[(2S)-2-(4-chlorophenyl)-2-(dimethylamino)ethyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 129378287
(1R,2S,4R)-N-[(2S)-2-(4-chlorophenyl)-2-(dimethylamino)ethyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 129378289
1-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]-3-pyridin-2-ylurea
CID 110491991
2-[[(4-chlorophenyl)-cyclopropylmethyl]amino]-N-[2-(dimethylamino)-2-phenylethyl]acetamide
CID 112801601

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]-3-(2-cyclopropyl-1-hydroxypropan-2-yl)urea?
The IUPAC name of 1-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]-3-(2-cyclopropyl-1-hydroxypropan-2-yl)urea (CID 84587623) is 1-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]-3-(2-cyclopropyl-1-hydroxypropan-2-yl)urea.
What is the SMILES notation for 1-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]-3-(2-cyclopropyl-1-hydroxypropan-2-yl)urea?
The canonical SMILES for 1-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]-3-(2-cyclopropyl-1-hydroxypropan-2-yl)urea is CN(C)C(CNC(=O)NC(C)(CO)C1CC1)c1ccc(Cl)cc1.
What is the InChIKey of 1-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]-3-(2-cyclopropyl-1-hydroxypropan-2-yl)urea?
The InChIKey is ULTZZJKEUBLZNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClN3O2/c1-17(11-22,13-6-7-13)20-16(23)19-10-15(21(2)3)12-4-8-14(18)9-5-12/h4-5,8-9,13,15,22H,6-7,10-11H2,1-3H3,(H2,19,20,23).
What are the key properties of 1-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]-3-(2-cyclopropyl-1-hydroxypropan-2-yl)urea?
1-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]-3-(2-cyclopropyl-1-hydroxypropan-2-yl)urea has a molecular weight of 339.87 g/mol, XLogP of 2.40, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]-3-(2-cyclopropyl-1-hydroxypropan-2-yl)urea is sourced from PubChem (CID 84587623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).