1-[2-(3-chlorophenyl)-2-methoxypropyl]-3-(2-methoxyethyl)urea

C14H21ClN2O3 — CID 90600185

IUPAC1-[2-(3-chlorophenyl)-2-methoxypropyl]-3-(2-methoxyethyl)urea
SMILESCOCCNC(=O)NCC(C)(OC)c1cccc(Cl)c1
InChIInChI=1S/C14H21ClN2O3/c1-14(20-3,11-5-4-6-12(15)9-11)10-17-13(18)16-7-8-19-2/h4-6,9H,7-8,10H2,1-3H3,(H2,16,17,18)
InChIKeyPFDHQAMATLELGU-UHFFFAOYSA-N
MW300.79 g/mol
LogP2.15
Rot. Bonds7

About 1-[2-(3-chlorophenyl)-2-methoxypropyl]-3-(2-methoxyethyl)urea

1-[2-(3-chlorophenyl)-2-methoxypropyl]-3-(2-methoxyethyl)urea (PubChem CID 90600185) has the molecular formula C14H21ClN2O3 and a molecular weight of 300.79 g/mol. Its IUPAC name is 1-[2-(3-chlorophenyl)-2-methoxypropyl]-3-(2-methoxyethyl)urea.

Molecular Properties

Compound Name1-[2-(3-chlorophenyl)-2-methoxypropyl]-3-(2-methoxyethyl)urea
PubChem CID90600185
Molecular FormulaC14H21ClN2O3
Molecular Weight300.79 g/mol
Exact Mass300.12
IUPAC Name1-[2-(3-chlorophenyl)-2-methoxypropyl]-3-(2-methoxyethyl)urea
SMILESCOCCNC(=O)NCC(C)(OC)c1cccc(Cl)c1
InChIInChI=1S/C14H21ClN2O3/c1-14(20-3,11-5-4-6-12(15)9-11)10-17-13(18)16-7-8-19-2/h4-6,9H,7-8,10H2,1-3H3,(H2,16,17,18)
InChIKeyPFDHQAMATLELGU-UHFFFAOYSA-N
XLogP2.15
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[[2-(3-chlorophenyl)-2-methylpropyl]carbamoylamino]-N-(2-methoxyethyl)propanamide
CID 51128640
1-[2-(3-chlorophenyl)-2-methoxypropyl]-3-[(4-chlorophenyl)methyl]urea
CID 90600204
1-[2-(3-chlorophenyl)-2-methoxypropyl]-3-(2-methoxyphenyl)urea
CID 90600196
N-[2-(3-chlorophenyl)-2-methoxypropyl]pyridine-3-carboxamide
CID 90599834
1-[2-(3-chlorophenyl)-2-methoxypropyl]-3-(4-ethoxyphenyl)urea
CID 90600200
N'-(4-chlorophenyl)-N-[2-(3-chlorophenyl)-2-methoxypropyl]oxamide
CID 90600132
N-benzyl-N'-[2-(3-chlorophenyl)-2-methoxypropyl]oxamide
CID 90600108
N-[2-(3-chlorophenyl)-2-methoxypropyl]-4-ethoxybenzamide
CID 90599881
N-[2-(3-chlorophenyl)-2-methoxypropyl]-4-phenoxybenzamide
CID 90599957
N'-[2-(3-chlorophenyl)-2-methoxypropyl]-N-[(2-chlorophenyl)methyl]oxamide
CID 90600151
N'-(3-acetamidophenyl)-N-[2-(3-chlorophenyl)-2-methoxypropyl]oxamide
CID 90600155
N-[2-(3-chlorophenyl)-2-methoxypropyl]-1H-indole-2-carboxamide
CID 90599873

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-chlorophenyl)-2-methoxypropyl]-3-(2-methoxyethyl)urea?
The IUPAC name of 1-[2-(3-chlorophenyl)-2-methoxypropyl]-3-(2-methoxyethyl)urea (CID 90600185) is 1-[2-(3-chlorophenyl)-2-methoxypropyl]-3-(2-methoxyethyl)urea.
What is the SMILES notation for 1-[2-(3-chlorophenyl)-2-methoxypropyl]-3-(2-methoxyethyl)urea?
The canonical SMILES for 1-[2-(3-chlorophenyl)-2-methoxypropyl]-3-(2-methoxyethyl)urea is COCCNC(=O)NCC(C)(OC)c1cccc(Cl)c1.
What is the InChIKey of 1-[2-(3-chlorophenyl)-2-methoxypropyl]-3-(2-methoxyethyl)urea?
The InChIKey is PFDHQAMATLELGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O3/c1-14(20-3,11-5-4-6-12(15)9-11)10-17-13(18)16-7-8-19-2/h4-6,9H,7-8,10H2,1-3H3,(H2,16,17,18).
What are the key properties of 1-[2-(3-chlorophenyl)-2-methoxypropyl]-3-(2-methoxyethyl)urea?
1-[2-(3-chlorophenyl)-2-methoxypropyl]-3-(2-methoxyethyl)urea has a molecular weight of 300.79 g/mol, XLogP of 2.15, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-chlorophenyl)-2-methoxypropyl]-3-(2-methoxyethyl)urea is sourced from PubChem (CID 90600185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).