1-(3-ethoxycyclobutyl)-3-[4-(2-methylpropanoyl)phenyl]urea

C17H24N2O3 — CID 154764124

IUPAC1-(3-ethoxycyclobutyl)-3-[4-(2-methylpropanoyl)phenyl]urea
SMILESCCOC1CC(NC(=O)Nc2ccc(C(=O)C(C)C)cc2)C1
InChIInChI=1S/C17H24N2O3/c1-4-22-15-9-14(10-15)19-17(21)18-13-7-5-12(6-8-13)16(20)11(2)3/h5-8,11,14-15H,4,9-10H2,1-3H3,(H2,18,19,21)
InChIKeyQXSIHPDBJACUJW-UHFFFAOYSA-N
MW304.39 g/mol
LogP3.21
Rot. Bonds6

About 1-(3-ethoxycyclobutyl)-3-[4-(2-methylpropanoyl)phenyl]urea

1-(3-ethoxycyclobutyl)-3-[4-(2-methylpropanoyl)phenyl]urea (PubChem CID 154764124) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is 1-(3-ethoxycyclobutyl)-3-[4-(2-methylpropanoyl)phenyl]urea.

Molecular Properties

Compound Name1-(3-ethoxycyclobutyl)-3-[4-(2-methylpropanoyl)phenyl]urea
PubChem CID154764124
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name1-(3-ethoxycyclobutyl)-3-[4-(2-methylpropanoyl)phenyl]urea
SMILESCCOC1CC(NC(=O)Nc2ccc(C(=O)C(C)C)cc2)C1
InChIInChI=1S/C17H24N2O3/c1-4-22-15-9-14(10-15)19-17(21)18-13-7-5-12(6-8-13)16(20)11(2)3/h5-8,11,14-15H,4,9-10H2,1-3H3,(H2,18,19,21)
InChIKeyQXSIHPDBJACUJW-UHFFFAOYSA-N
XLogP3.21
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-ethoxycyclobutyl)-3-phenylthiourea
CID 105414637
N-(3-ethoxycyclobutyl)-4-iodobenzamide
CID 102610594
6-chloro-N-(3-ethoxycyclobutyl)pyridine-3-carboxamide
CID 102610570
ethane;N-[4-(2-methylpropanoyl)phenyl]propanamide
CID 172566048
4-cyano-N-(3-ethoxycyclobutyl)benzamide
CID 102610611
ethyl 4-[4-(cyclopropylcarbamoylamino)anilino]benzoate
CID 112989391
1-cyclopropyl-3-(4-ethoxyphenyl)urea
CID 17264486
4-(cyclohexylcarbamoylamino)-N-propan-2-ylbenzamide
CID 17180621
1-[4-(butan-2-ylamino)phenyl]-3-cyclopropylurea
CID 112980511
4-bromo-N-(3-ethoxycyclobutyl)-3-hydroxybenzamide
CID 102673953
1-cyclopropyl-3-(6-ethoxy-3-pyridinyl)urea
CID 115687753
2-[(3-ethoxycyclobutyl)amino]-N-phenylacetamide
CID 103921112

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxycyclobutyl)-3-[4-(2-methylpropanoyl)phenyl]urea?
The IUPAC name of 1-(3-ethoxycyclobutyl)-3-[4-(2-methylpropanoyl)phenyl]urea (CID 154764124) is 1-(3-ethoxycyclobutyl)-3-[4-(2-methylpropanoyl)phenyl]urea.
What is the SMILES notation for 1-(3-ethoxycyclobutyl)-3-[4-(2-methylpropanoyl)phenyl]urea?
The canonical SMILES for 1-(3-ethoxycyclobutyl)-3-[4-(2-methylpropanoyl)phenyl]urea is CCOC1CC(NC(=O)Nc2ccc(C(=O)C(C)C)cc2)C1.
What is the InChIKey of 1-(3-ethoxycyclobutyl)-3-[4-(2-methylpropanoyl)phenyl]urea?
The InChIKey is QXSIHPDBJACUJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-4-22-15-9-14(10-15)19-17(21)18-13-7-5-12(6-8-13)16(20)11(2)3/h5-8,11,14-15H,4,9-10H2,1-3H3,(H2,18,19,21).
What are the key properties of 1-(3-ethoxycyclobutyl)-3-[4-(2-methylpropanoyl)phenyl]urea?
1-(3-ethoxycyclobutyl)-3-[4-(2-methylpropanoyl)phenyl]urea has a molecular weight of 304.39 g/mol, XLogP of 3.21, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxycyclobutyl)-3-[4-(2-methylpropanoyl)phenyl]urea is sourced from PubChem (CID 154764124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).