methyl N-[2-methyl-3-[[4-(oxolan-3-yl)phenyl]carbamoylamino]phenyl]carbamate

C20H23N3O4 — CID 126815159

IUPACmethyl N-[2-methyl-3-[[4-(oxolan-3-yl)phenyl]carbamoylamino]phenyl]carbamate
SMILESCOC(=O)Nc1cccc(NC(=O)Nc2ccc(C3CCOC3)cc2)c1C
InChIInChI=1S/C20H23N3O4/c1-13-17(4-3-5-18(13)23-20(25)26-2)22-19(24)21-16-8-6-14(7-9-16)15-10-11-27-12-15/h3-9,15H,10-12H2,1-2H3,(H,23,25)(H2,21,22,24)
InChIKeyHHONEPHXVIQWIK-UHFFFAOYSA-N
MW369.42 g/mol
LogP4.32
Rot. Bonds4

About methyl N-[2-methyl-3-[[4-(oxolan-3-yl)phenyl]carbamoylamino]phenyl]carbamate

methyl N-[2-methyl-3-[[4-(oxolan-3-yl)phenyl]carbamoylamino]phenyl]carbamate (PubChem CID 126815159) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is methyl N-[2-methyl-3-[[4-(oxolan-3-yl)phenyl]carbamoylamino]phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-methyl-3-[[4-(oxolan-3-yl)phenyl]carbamoylamino]phenyl]carbamate
PubChem CID126815159
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC Namemethyl N-[2-methyl-3-[[4-(oxolan-3-yl)phenyl]carbamoylamino]phenyl]carbamate
SMILESCOC(=O)Nc1cccc(NC(=O)Nc2ccc(C3CCOC3)cc2)c1C
InChIInChI=1S/C20H23N3O4/c1-13-17(4-3-5-18(13)23-20(25)26-2)22-19(24)21-16-8-6-14(7-9-16)15-10-11-27-12-15/h3-9,15H,10-12H2,1-2H3,(H,23,25)(H2,21,22,24)
InChIKeyHHONEPHXVIQWIK-UHFFFAOYSA-N
XLogP4.32
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 54.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze methyl N-[2-methyl-3-[[4-(oxolan-3-yl)phenyl]carbamoylamino]phenyl]carbamate 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

3-[3-[[4-(oxolan-3-yl)phenyl]carbamoylamino]phenyl]propanoic acid
CID 122094327
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(oxolan-3-yl)phenyl]urea
CID 166236097
4-methyl-4-[[4-(oxolan-3-yl)phenyl]carbamoylamino]pentanoic acid
CID 122094321
1-(2,3-dimethylphenyl)-3-(oxolan-3-yl)urea
CID 115758902
1-(3-fluoro-2-methylphenyl)-3-(oxolan-3-yl)urea
CID 113322039
1-(3-chloro-2-methylphenyl)-3-(oxolan-3-yl)urea
CID 115758945
1-(3-bromo-2-methylphenyl)-3-[2-[(3R)-oxolan-3-yl]oxyphenyl]urea
CID 96542046
1-[4-(4-hydroxycyclohexyl)phenyl]-3-(2-methoxy-5-methylphenyl)urea
CID 71072413
methyl N-[3-[(2-chloroacetyl)amino]-2-methylphenyl]carbamate
CID 166415130
4-[4-[(2-methoxy-5-methylphenyl)carbamoylamino]phenyl]cyclohexane-1-carboxylic acid
CID 59278786
1-(2-cyclopropylphenyl)-3-(4-methoxyphenyl)urea
CID 6422539
1-(4-cyclohexylphenyl)-3-(2-fluorophenyl)urea
CID 143736831

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-methyl-3-[[4-(oxolan-3-yl)phenyl]carbamoylamino]phenyl]carbamate?
The IUPAC name of methyl N-[2-methyl-3-[[4-(oxolan-3-yl)phenyl]carbamoylamino]phenyl]carbamate (CID 126815159) is methyl N-[2-methyl-3-[[4-(oxolan-3-yl)phenyl]carbamoylamino]phenyl]carbamate.
What is the SMILES notation for methyl N-[2-methyl-3-[[4-(oxolan-3-yl)phenyl]carbamoylamino]phenyl]carbamate?
The canonical SMILES for methyl N-[2-methyl-3-[[4-(oxolan-3-yl)phenyl]carbamoylamino]phenyl]carbamate is COC(=O)Nc1cccc(NC(=O)Nc2ccc(C3CCOC3)cc2)c1C.
What is the InChIKey of methyl N-[2-methyl-3-[[4-(oxolan-3-yl)phenyl]carbamoylamino]phenyl]carbamate?
The InChIKey is HHONEPHXVIQWIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4/c1-13-17(4-3-5-18(13)23-20(25)26-2)22-19(24)21-16-8-6-14(7-9-16)15-10-11-27-12-15/h3-9,15H,10-12H2,1-2H3,(H,23,25)(H2,21,22,24).
What are the key properties of methyl N-[2-methyl-3-[[4-(oxolan-3-yl)phenyl]carbamoylamino]phenyl]carbamate?
methyl N-[2-methyl-3-[[4-(oxolan-3-yl)phenyl]carbamoylamino]phenyl]carbamate has a molecular weight of 369.42 g/mol, XLogP of 4.32, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-methyl-3-[[4-(oxolan-3-yl)phenyl]carbamoylamino]phenyl]carbamate is sourced from PubChem (CID 126815159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).