1-[1-(3,4-dimethoxyphenyl)ethyl]-3-(oxan-4-ylidenemethyl)urea

C17H24N2O4 — CID 108913137

IUPAC1-[1-(3,4-dimethoxyphenyl)ethyl]-3-(oxan-4-ylidenemethyl)urea
SMILESCOc1ccc(C(C)NC(=O)NC=C2CCOCC2)cc1OC
InChIInChI=1S/C17H24N2O4/c1-12(14-4-5-15(21-2)16(10-14)22-3)19-17(20)18-11-13-6-8-23-9-7-13/h4-5,10-12H,6-9H2,1-3H3,(H2,18,19,20)
InChIKeyYIKZXSNACYCDMC-UHFFFAOYSA-N
MW320.39 g/mol
LogP2.76
Rot. Bonds5

About 1-[1-(3,4-dimethoxyphenyl)ethyl]-3-(oxan-4-ylidenemethyl)urea

1-[1-(3,4-dimethoxyphenyl)ethyl]-3-(oxan-4-ylidenemethyl)urea (PubChem CID 108913137) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is 1-[1-(3,4-dimethoxyphenyl)ethyl]-3-(oxan-4-ylidenemethyl)urea.

Molecular Properties

Compound Name1-[1-(3,4-dimethoxyphenyl)ethyl]-3-(oxan-4-ylidenemethyl)urea
PubChem CID108913137
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC Name1-[1-(3,4-dimethoxyphenyl)ethyl]-3-(oxan-4-ylidenemethyl)urea
SMILESCOc1ccc(C(C)NC(=O)NC=C2CCOCC2)cc1OC
InChIInChI=1S/C17H24N2O4/c1-12(14-4-5-15(21-2)16(10-14)22-3)19-17(20)18-11-13-6-8-23-9-7-13/h4-5,10-12H,6-9H2,1-3H3,(H2,18,19,20)
InChIKeyYIKZXSNACYCDMC-UHFFFAOYSA-N
XLogP2.76
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[1-(3,4-dimethoxyphenyl)ethyl]-3-(oxan-4-ylidenemethyl)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-[(E)-but-1-enyl]-3-[1-(3,4-dimethoxyphenyl)ethyl]urea
CID 108910581
N-[1-(3,4-dimethoxyphenyl)ethyl]-3-oxa-9-azaspiro[5.5]undecane-9-carboxamide
CID 122560161
4-[1-(3,4-dimethoxyphenyl)ethylamino]-4-oxobut-2-enoic acid
CID 61172423
N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(2-methylpropyl)oxamide
CID 108504806
1-[1-(3,4-dimethoxyphenyl)ethylcarbamoylamino]cyclopentane-1-carboxamide
CID 122571672
N-[1-(3,4-dimethoxyphenyl)ethyl]-2-ethylbutanamide
CID 17329435
N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(1-phenylethyl)oxamide
CID 108507825
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-4-(morpholin-4-ylmethyl)benzamide
CID 92677739
1-[1-(3,4-dimethoxyphenyl)ethyl]-3-[2-(2,6-dimethylmorpholin-4-yl)ethyl]urea
CID 55793848
1-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-3-[[(2S,4S)-2-methyloxan-4-yl]methyl]urea
CID 129471370
1-[1-(3,4-dimethoxyphenyl)ethyl]-3-[(2-methoxyphenoxy)methyl]urea
CID 108892136
2-[1-(3,4-dimethoxyphenyl)ethylamino]propanoic acid
CID 54959912

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,4-dimethoxyphenyl)ethyl]-3-(oxan-4-ylidenemethyl)urea?
The IUPAC name of 1-[1-(3,4-dimethoxyphenyl)ethyl]-3-(oxan-4-ylidenemethyl)urea (CID 108913137) is 1-[1-(3,4-dimethoxyphenyl)ethyl]-3-(oxan-4-ylidenemethyl)urea.
What is the SMILES notation for 1-[1-(3,4-dimethoxyphenyl)ethyl]-3-(oxan-4-ylidenemethyl)urea?
The canonical SMILES for 1-[1-(3,4-dimethoxyphenyl)ethyl]-3-(oxan-4-ylidenemethyl)urea is COc1ccc(C(C)NC(=O)NC=C2CCOCC2)cc1OC.
What is the InChIKey of 1-[1-(3,4-dimethoxyphenyl)ethyl]-3-(oxan-4-ylidenemethyl)urea?
The InChIKey is YIKZXSNACYCDMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4/c1-12(14-4-5-15(21-2)16(10-14)22-3)19-17(20)18-11-13-6-8-23-9-7-13/h4-5,10-12H,6-9H2,1-3H3,(H2,18,19,20).
What are the key properties of 1-[1-(3,4-dimethoxyphenyl)ethyl]-3-(oxan-4-ylidenemethyl)urea?
1-[1-(3,4-dimethoxyphenyl)ethyl]-3-(oxan-4-ylidenemethyl)urea has a molecular weight of 320.39 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3,4-dimethoxyphenyl)ethyl]-3-(oxan-4-ylidenemethyl)urea is sourced from PubChem (CID 108913137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).