1-[1-(4-chlorophenyl)ethyl]-3-[3-(2-hydroxyethoxy)propyl]urea

C14H21ClN2O3 — CID 110024080

IUPAC1-[1-(4-chlorophenyl)ethyl]-3-[3-(2-hydroxyethoxy)propyl]urea
SMILESCC(NC(=O)NCCCOCCO)c1ccc(Cl)cc1
InChIInChI=1S/C14H21ClN2O3/c1-11(12-3-5-13(15)6-4-12)17-14(19)16-7-2-9-20-10-8-18/h3-6,11,18H,2,7-10H2,1H3,(H2,16,17,19)
InChIKeyPRIAGUQWVNKIES-UHFFFAOYSA-N
MW300.79 g/mol
LogP2.10
Rot. Bonds8

About 1-[1-(4-chlorophenyl)ethyl]-3-[3-(2-hydroxyethoxy)propyl]urea

1-[1-(4-chlorophenyl)ethyl]-3-[3-(2-hydroxyethoxy)propyl]urea (PubChem CID 110024080) has the molecular formula C14H21ClN2O3 and a molecular weight of 300.79 g/mol. Its IUPAC name is 1-[1-(4-chlorophenyl)ethyl]-3-[3-(2-hydroxyethoxy)propyl]urea.

Molecular Properties

Compound Name1-[1-(4-chlorophenyl)ethyl]-3-[3-(2-hydroxyethoxy)propyl]urea
PubChem CID110024080
Molecular FormulaC14H21ClN2O3
Molecular Weight300.79 g/mol
Exact Mass300.12
IUPAC Name1-[1-(4-chlorophenyl)ethyl]-3-[3-(2-hydroxyethoxy)propyl]urea
SMILESCC(NC(=O)NCCCOCCO)c1ccc(Cl)cc1
InChIInChI=1S/C14H21ClN2O3/c1-11(12-3-5-13(15)6-4-12)17-14(19)16-7-2-9-20-10-8-18/h3-6,11,18H,2,7-10H2,1H3,(H2,16,17,19)
InChIKeyPRIAGUQWVNKIES-UHFFFAOYSA-N
XLogP2.10
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-hydroxyethyl N-[(1R)-1-(4-chlorophenyl)ethyl]carbamate
CID 81355345
1-[(1R)-1-(4-chlorophenyl)ethyl]-3-ethylurea
CID 94700038
1-[1-(4-bromophenyl)ethyl]-3-[3-(2-methylpropoxy)propyl]urea
CID 42954303
1-[1-(4-tert-butylphenyl)ethyl]-3-(3-hydroxypropyl)urea
CID 110901095
1-(2,4-dichlorophenyl)-3-[3-(2-hydroxyethoxy)propyl]urea
CID 110019202
(Z)-3-(4-chlorophenyl)-N-[3-(2-hydroxyethoxy)propyl]-2-methylprop-2-enamide
CID 110026658
1-[3-(cyclopropylmethoxy)propyl]-3-[1-[4-(trifluoromethyl)phenyl]ethyl]urea
CID 86994280
1-[2-(4-chlorophenyl)ethyl]-3-[(1S)-1-(4-ethoxyphenyl)ethyl]urea
CID 41105338
N-[(1S)-1-(4-chlorophenyl)ethyl]-4-hydroxybutanamide
CID 81354540
1-[(1S)-1-phenylethyl]-3-[8-[[(1S)-1-phenylethyl]carbamoylamino]octyl]urea
CID 102519107
(2S)-2-[1-(4-chlorophenyl)ethylcarbamoylamino]propanoic acid
CID 54964203
1-[(1R)-1-[4-(carbamoylamino)phenyl]ethyl]-3-(3-methoxypropyl)urea
CID 94780475

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-chlorophenyl)ethyl]-3-[3-(2-hydroxyethoxy)propyl]urea?
The IUPAC name of 1-[1-(4-chlorophenyl)ethyl]-3-[3-(2-hydroxyethoxy)propyl]urea (CID 110024080) is 1-[1-(4-chlorophenyl)ethyl]-3-[3-(2-hydroxyethoxy)propyl]urea.
What is the SMILES notation for 1-[1-(4-chlorophenyl)ethyl]-3-[3-(2-hydroxyethoxy)propyl]urea?
The canonical SMILES for 1-[1-(4-chlorophenyl)ethyl]-3-[3-(2-hydroxyethoxy)propyl]urea is CC(NC(=O)NCCCOCCO)c1ccc(Cl)cc1.
What is the InChIKey of 1-[1-(4-chlorophenyl)ethyl]-3-[3-(2-hydroxyethoxy)propyl]urea?
The InChIKey is PRIAGUQWVNKIES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O3/c1-11(12-3-5-13(15)6-4-12)17-14(19)16-7-2-9-20-10-8-18/h3-6,11,18H,2,7-10H2,1H3,(H2,16,17,19).
What are the key properties of 1-[1-(4-chlorophenyl)ethyl]-3-[3-(2-hydroxyethoxy)propyl]urea?
1-[1-(4-chlorophenyl)ethyl]-3-[3-(2-hydroxyethoxy)propyl]urea has a molecular weight of 300.79 g/mol, XLogP of 2.10, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-chlorophenyl)ethyl]-3-[3-(2-hydroxyethoxy)propyl]urea is sourced from PubChem (CID 110024080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).