1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-[2-(diethylamino)propyl]urea

C16H26ClN3O2 — CID 110893643

IUPAC1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-[2-(diethylamino)propyl]urea
SMILESCCN(CC)C(C)CNC(=O)NCC(O)c1ccc(Cl)cc1
InChIInChI=1S/C16H26ClN3O2/c1-4-20(5-2)12(3)10-18-16(22)19-11-15(21)13-6-8-14(17)9-7-13/h6-9,12,15,21H,4-5,10-11H2,1-3H3,(H2,18,19,22)
InChIKeyLYHQHHRHGLVQPJ-UHFFFAOYSA-N
MW327.86 g/mol
LogP2.40
Rot. Bonds8

About 1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-[2-(diethylamino)propyl]urea

1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-[2-(diethylamino)propyl]urea (PubChem CID 110893643) has the molecular formula C16H26ClN3O2 and a molecular weight of 327.86 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-[2-(diethylamino)propyl]urea.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-[2-(diethylamino)propyl]urea
PubChem CID110893643
Molecular FormulaC16H26ClN3O2
Molecular Weight327.86 g/mol
Exact Mass327.17
IUPAC Name1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-[2-(diethylamino)propyl]urea
SMILESCCN(CC)C(C)CNC(=O)NCC(O)c1ccc(Cl)cc1
InChIInChI=1S/C16H26ClN3O2/c1-4-20(5-2)12(3)10-18-16(22)19-11-15(21)13-6-8-14(17)9-7-13/h6-9,12,15,21H,4-5,10-11H2,1-3H3,(H2,18,19,22)
InChIKeyLYHQHHRHGLVQPJ-UHFFFAOYSA-N
XLogP2.40
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.86
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-methylpropanamide
CID 82117612
1-[(3-chlorophenyl)methyl]-3-[2-(diethylamino)propyl]urea
CID 110301541
1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(1-methylsulfanylpropan-2-yl)urea
CID 111434478
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(dimethylamino)-3-methylbutanamide
CID 111107154
1-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]-3-(2-phenylethyl)urea
CID 38214845
4-chloro-N-[2-(4-chlorophenyl)-2-hydroxyethyl]benzamide
CID 110885428
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-ethoxyacetamide
CID 110885506
1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(2,4,6-trimethylphenyl)urea
CID 110890330
N-[2-(4-chlorophenyl)-2-hydroxyethyl]nonanamide
CID 86076853
1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-[(1-methylpyrazol-4-yl)methyl]urea
CID 110903365
1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(2-methylsulfanylphenyl)urea
CID 110890570
N-[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]prop-2-enamide
CID 166414513

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-[2-(diethylamino)propyl]urea?
The IUPAC name of 1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-[2-(diethylamino)propyl]urea (CID 110893643) is 1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-[2-(diethylamino)propyl]urea.
What is the SMILES notation for 1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-[2-(diethylamino)propyl]urea?
The canonical SMILES for 1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-[2-(diethylamino)propyl]urea is CCN(CC)C(C)CNC(=O)NCC(O)c1ccc(Cl)cc1.
What is the InChIKey of 1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-[2-(diethylamino)propyl]urea?
The InChIKey is LYHQHHRHGLVQPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClN3O2/c1-4-20(5-2)12(3)10-18-16(22)19-11-15(21)13-6-8-14(17)9-7-13/h6-9,12,15,21H,4-5,10-11H2,1-3H3,(H2,18,19,22).
What are the key properties of 1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-[2-(diethylamino)propyl]urea?
1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-[2-(diethylamino)propyl]urea has a molecular weight of 327.86 g/mol, XLogP of 2.40, 8 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-hydroxyethyl]-3-[2-(diethylamino)propyl]urea is sourced from PubChem (CID 110893643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).