3-(2-chloro-4-methoxyphenyl)-1-[2-(cyclopropylmethoxy)ethyl]-1-methylurea

C15H21ClN2O3 — CID 71972143

IUPAC3-(2-chloro-4-methoxyphenyl)-1-[2-(cyclopropylmethoxy)ethyl]-1-methylurea
SMILESCOc1ccc(NC(=O)N(C)CCOCC2CC2)c(Cl)c1
InChIInChI=1S/C15H21ClN2O3/c1-18(7-8-21-10-11-3-4-11)15(19)17-14-6-5-12(20-2)9-13(14)16/h5-6,9,11H,3-4,7-8,10H2,1-2H3,(H,17,19)
InChIKeyBQICLKDSDKCWIZ-UHFFFAOYSA-N
MW312.80 g/mol
LogP3.24
Rot. Bonds7

About 3-(2-chloro-4-methoxyphenyl)-1-[2-(cyclopropylmethoxy)ethyl]-1-methylurea

3-(2-chloro-4-methoxyphenyl)-1-[2-(cyclopropylmethoxy)ethyl]-1-methylurea (PubChem CID 71972143) has the molecular formula C15H21ClN2O3 and a molecular weight of 312.80 g/mol. Its IUPAC name is 3-(2-chloro-4-methoxyphenyl)-1-[2-(cyclopropylmethoxy)ethyl]-1-methylurea.

Molecular Properties

Compound Name3-(2-chloro-4-methoxyphenyl)-1-[2-(cyclopropylmethoxy)ethyl]-1-methylurea
PubChem CID71972143
Molecular FormulaC15H21ClN2O3
Molecular Weight312.80 g/mol
Exact Mass312.12
IUPAC Name3-(2-chloro-4-methoxyphenyl)-1-[2-(cyclopropylmethoxy)ethyl]-1-methylurea
SMILESCOc1ccc(NC(=O)N(C)CCOCC2CC2)c(Cl)c1
InChIInChI=1S/C15H21ClN2O3/c1-18(7-8-21-10-11-3-4-11)15(19)17-14-6-5-12(20-2)9-13(14)16/h5-6,9,11H,3-4,7-8,10H2,1-2H3,(H,17,19)
InChIKeyBQICLKDSDKCWIZ-UHFFFAOYSA-N
XLogP3.24
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 53.24
H-Bond Donors ≤ 51
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-chloro-4-methoxyphenyl)-1-methyl-1-(2-pyridin-2-ylethyl)urea
CID 86862798
3-chloro-4-[[2-ethoxyethyl(methyl)carbamoyl]amino]benzoic acid
CID 81058013
1-[2-(cyclopropylmethoxy)ethyl]-1-methyl-3-(4-methylsulfinylphenyl)urea
CID 71856070
2-chloro-N-(cyclopropylmethyl)-4-methoxyaniline
CID 130877520
N-(2-chloro-4-methoxyphenyl)cyclopentanecarboxamide
CID 110777920
1-butyl-3-(2,4-dimethoxyphenyl)-1-methylurea
CID 23849485
(2-chloro-4-methoxyphenyl)carbamothioic S-acid
CID 115169707
1-(2-chloro-4-methoxyphenyl)-3-cyclohexylthiourea
CID 5220485
3-(2,4-dimethoxyphenyl)-1-methyl-1-[2-[(2R)-oxan-2-yl]ethyl]urea
CID 124523163
N-(2-chloro-4-methoxyphenyl)-4-methoxybutanamide
CID 86858023
1-[(2-chloro-4-methoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 115181821
1-[2-(cyclopropylmethoxy)ethyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylurea
CID 71972141

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-4-methoxyphenyl)-1-[2-(cyclopropylmethoxy)ethyl]-1-methylurea?
The IUPAC name of 3-(2-chloro-4-methoxyphenyl)-1-[2-(cyclopropylmethoxy)ethyl]-1-methylurea (CID 71972143) is 3-(2-chloro-4-methoxyphenyl)-1-[2-(cyclopropylmethoxy)ethyl]-1-methylurea.
What is the SMILES notation for 3-(2-chloro-4-methoxyphenyl)-1-[2-(cyclopropylmethoxy)ethyl]-1-methylurea?
The canonical SMILES for 3-(2-chloro-4-methoxyphenyl)-1-[2-(cyclopropylmethoxy)ethyl]-1-methylurea is COc1ccc(NC(=O)N(C)CCOCC2CC2)c(Cl)c1.
What is the InChIKey of 3-(2-chloro-4-methoxyphenyl)-1-[2-(cyclopropylmethoxy)ethyl]-1-methylurea?
The InChIKey is BQICLKDSDKCWIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O3/c1-18(7-8-21-10-11-3-4-11)15(19)17-14-6-5-12(20-2)9-13(14)16/h5-6,9,11H,3-4,7-8,10H2,1-2H3,(H,17,19).
What are the key properties of 3-(2-chloro-4-methoxyphenyl)-1-[2-(cyclopropylmethoxy)ethyl]-1-methylurea?
3-(2-chloro-4-methoxyphenyl)-1-[2-(cyclopropylmethoxy)ethyl]-1-methylurea has a molecular weight of 312.80 g/mol, XLogP of 3.24, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-4-methoxyphenyl)-1-[2-(cyclopropylmethoxy)ethyl]-1-methylurea is sourced from PubChem (CID 71972143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).