1-(1-cyclopropylethyl)-1-methyl-3-[(4-phenyloxan-4-yl)methyl]urea

C19H28N2O2 — CID 87007692

IUPAC1-(1-cyclopropylethyl)-1-methyl-3-[(4-phenyloxan-4-yl)methyl]urea
SMILESCC(C1CC1)N(C)C(=O)NCC1(c2ccccc2)CCOCC1
InChIInChI=1S/C19H28N2O2/c1-15(16-8-9-16)21(2)18(22)20-14-19(10-12-23-13-11-19)17-6-4-3-5-7-17/h3-7,15-16H,8-14H2,1-2H3,(H,20,22)
InChIKeyGGVKQWVXXDMNTR-UHFFFAOYSA-N
MW316.44 g/mol
LogP3.17
Rot. Bonds5

About 1-(1-cyclopropylethyl)-1-methyl-3-[(4-phenyloxan-4-yl)methyl]urea

1-(1-cyclopropylethyl)-1-methyl-3-[(4-phenyloxan-4-yl)methyl]urea (PubChem CID 87007692) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is 1-(1-cyclopropylethyl)-1-methyl-3-[(4-phenyloxan-4-yl)methyl]urea.

Molecular Properties

Compound Name1-(1-cyclopropylethyl)-1-methyl-3-[(4-phenyloxan-4-yl)methyl]urea
PubChem CID87007692
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC Name1-(1-cyclopropylethyl)-1-methyl-3-[(4-phenyloxan-4-yl)methyl]urea
SMILESCC(C1CC1)N(C)C(=O)NCC1(c2ccccc2)CCOCC1
InChIInChI=1S/C19H28N2O2/c1-15(16-8-9-16)21(2)18(22)20-14-19(10-12-23-13-11-19)17-6-4-3-5-7-17/h3-7,15-16H,8-14H2,1-2H3,(H,20,22)
InChIKeyGGVKQWVXXDMNTR-UHFFFAOYSA-N
XLogP3.17
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(1-cyclopropylethyl)-1-methyl-3-[(4-phenyloxan-4-yl)methyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cyclopentyl-3-[(4-phenyloxan-4-yl)methyl]urea
CID 38287346
3-amino-N-[(4-phenyloxan-4-yl)methyl]butanamide
CID 119731118
N-[(4-phenyloxan-4-yl)methyl]-2-phenylsulfanylpropanamide
CID 133210947
1-(cyclohexylmethyl)-1-cyclopropyl-3-[(4-phenyloxan-4-yl)methyl]urea
CID 55911273
4-amino-N-[(4-phenyloxan-4-yl)methyl]pentanamide
CID 120560576
1-(1-hydroxy-4-methylpentan-3-yl)-3-[(4-phenyloxan-4-yl)methyl]urea
CID 111504888
1-(4-hydroxy-3-methylbutan-2-yl)-3-[(4-phenyloxan-4-yl)methyl]urea
CID 111454581
4-phenyl-N-[(4-phenyloxan-4-yl)methyl]oxane-4-carboxamide
CID 1082209
2-(4-methoxyphenoxy)-N-[(4-phenyloxan-4-yl)methyl]propanamide
CID 133228915
1-[1-(4-methoxyphenyl)-2-methylpropyl]-3-[(4-phenyloxan-4-yl)methyl]urea
CID 55794290
N'-[(4-phenyloxan-4-yl)methyl]-N-propyloxamide
CID 27451627
(2S)-N-[(4-phenyloxan-4-yl)methyl]-2-piperidin-1-ylpropanamide
CID 755199

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopropylethyl)-1-methyl-3-[(4-phenyloxan-4-yl)methyl]urea?
The IUPAC name of 1-(1-cyclopropylethyl)-1-methyl-3-[(4-phenyloxan-4-yl)methyl]urea (CID 87007692) is 1-(1-cyclopropylethyl)-1-methyl-3-[(4-phenyloxan-4-yl)methyl]urea.
What is the SMILES notation for 1-(1-cyclopropylethyl)-1-methyl-3-[(4-phenyloxan-4-yl)methyl]urea?
The canonical SMILES for 1-(1-cyclopropylethyl)-1-methyl-3-[(4-phenyloxan-4-yl)methyl]urea is CC(C1CC1)N(C)C(=O)NCC1(c2ccccc2)CCOCC1.
What is the InChIKey of 1-(1-cyclopropylethyl)-1-methyl-3-[(4-phenyloxan-4-yl)methyl]urea?
The InChIKey is GGVKQWVXXDMNTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-15(16-8-9-16)21(2)18(22)20-14-19(10-12-23-13-11-19)17-6-4-3-5-7-17/h3-7,15-16H,8-14H2,1-2H3,(H,20,22).
What are the key properties of 1-(1-cyclopropylethyl)-1-methyl-3-[(4-phenyloxan-4-yl)methyl]urea?
1-(1-cyclopropylethyl)-1-methyl-3-[(4-phenyloxan-4-yl)methyl]urea has a molecular weight of 316.44 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopropylethyl)-1-methyl-3-[(4-phenyloxan-4-yl)methyl]urea is sourced from PubChem (CID 87007692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).