1-cyclopropyl-1-[(3-ethoxyphenyl)methyl]-3-(2-methylsulfanylethyl)urea

C16H24N2O2S — CID 119065491

IUPAC1-cyclopropyl-1-[(3-ethoxyphenyl)methyl]-3-(2-methylsulfanylethyl)urea
SMILESCCOc1cccc(CN(C(=O)NCCSC)C2CC2)c1
InChIInChI=1S/C16H24N2O2S/c1-3-20-15-6-4-5-13(11-15)12-18(14-7-8-14)16(19)17-9-10-21-2/h4-6,11,14H,3,7-10,12H2,1-2H3,(H,17,19)
InChIKeyQSQYCEPZSBINPW-UHFFFAOYSA-N
MW308.45 g/mol
LogP3.12
Rot. Bonds8

About 1-cyclopropyl-1-[(3-ethoxyphenyl)methyl]-3-(2-methylsulfanylethyl)urea

1-cyclopropyl-1-[(3-ethoxyphenyl)methyl]-3-(2-methylsulfanylethyl)urea (PubChem CID 119065491) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is 1-cyclopropyl-1-[(3-ethoxyphenyl)methyl]-3-(2-methylsulfanylethyl)urea.

Molecular Properties

Compound Name1-cyclopropyl-1-[(3-ethoxyphenyl)methyl]-3-(2-methylsulfanylethyl)urea
PubChem CID119065491
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC Name1-cyclopropyl-1-[(3-ethoxyphenyl)methyl]-3-(2-methylsulfanylethyl)urea
SMILESCCOc1cccc(CN(C(=O)NCCSC)C2CC2)c1
InChIInChI=1S/C16H24N2O2S/c1-3-20-15-6-4-5-13(11-15)12-18(14-7-8-14)16(19)17-9-10-21-2/h4-6,11,14H,3,7-10,12H2,1-2H3,(H,17,19)
InChIKeyQSQYCEPZSBINPW-UHFFFAOYSA-N
XLogP3.12
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 53.12
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

1-cyclopropyl-1-[(3-ethoxyphenyl)methyl]-3-[[(3R)-1-ethylpyrrolidin-3-yl]methyl]urea
CID 126442915
N-cyclopropyl-N-[(3-ethoxyphenyl)methyl]-3-[(2-methoxyacetyl)amino]benzamide
CID 50975306
N-cyclopropyl-N-[(3-ethoxyphenyl)methyl]-4-methylpyridine-3-carboxamide
CID 46998435
1-[(3-ethoxyphenyl)methyl]-2-methyl-3-(2-methylsulfanylethyl)guanidine
CID 111344491
N-cyclopropyl-N-[(3-ethoxyphenyl)methyl]-3-(1-methyltetrazol-5-yl)sulfanylpropanamide
CID 46996074
1-[(3-ethoxyphenyl)methyl]-1-ethyl-3-[2-(1-methylpyrrolidin-2-yl)ethyl]urea
CID 119061084
N-cyclopropyl-N-[(3-ethoxyphenyl)methyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide
CID 46985229
1-benzyl-1-cyclopropyl-3-ethylurea
CID 127578302
2-[cyclopropyl-[2-(3-methoxyphenyl)ethylcarbamoyl]amino]acetic acid
CID 103996280
N-[(3-ethoxyphenyl)methyl]-N-propylazetidin-3-amine
CID 66184588
1-cyclopropyl-1-[(3-methoxyphenyl)methyl]-3-[(2S)-2-pyrrolidin-1-ylpropyl]urea
CID 125437502
[3-[[cyclopropyl-(2-methoxyacetyl)amino]methyl]phenyl] ethanesulfonate
CID 42811412

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-[(3-ethoxyphenyl)methyl]-3-(2-methylsulfanylethyl)urea?
The IUPAC name of 1-cyclopropyl-1-[(3-ethoxyphenyl)methyl]-3-(2-methylsulfanylethyl)urea (CID 119065491) is 1-cyclopropyl-1-[(3-ethoxyphenyl)methyl]-3-(2-methylsulfanylethyl)urea.
What is the SMILES notation for 1-cyclopropyl-1-[(3-ethoxyphenyl)methyl]-3-(2-methylsulfanylethyl)urea?
The canonical SMILES for 1-cyclopropyl-1-[(3-ethoxyphenyl)methyl]-3-(2-methylsulfanylethyl)urea is CCOc1cccc(CN(C(=O)NCCSC)C2CC2)c1.
What is the InChIKey of 1-cyclopropyl-1-[(3-ethoxyphenyl)methyl]-3-(2-methylsulfanylethyl)urea?
The InChIKey is QSQYCEPZSBINPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S/c1-3-20-15-6-4-5-13(11-15)12-18(14-7-8-14)16(19)17-9-10-21-2/h4-6,11,14H,3,7-10,12H2,1-2H3,(H,17,19).
What are the key properties of 1-cyclopropyl-1-[(3-ethoxyphenyl)methyl]-3-(2-methylsulfanylethyl)urea?
1-cyclopropyl-1-[(3-ethoxyphenyl)methyl]-3-(2-methylsulfanylethyl)urea has a molecular weight of 308.45 g/mol, XLogP of 3.12, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-[(3-ethoxyphenyl)methyl]-3-(2-methylsulfanylethyl)urea is sourced from PubChem (CID 119065491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).