[2-[[methyl-[(2-methylphenyl)carbamoyl]amino]methyl]phenyl] N-methylcarbamate

C18H21N3O3 — CID 141249024

IUPAC[2-[[methyl-[(2-methylphenyl)carbamoyl]amino]methyl]phenyl] N-methylcarbamate
SMILESCNC(=O)Oc1ccccc1CN(C)C(=O)Nc1ccccc1C
InChIInChI=1S/C18H21N3O3/c1-13-8-4-6-10-15(13)20-17(22)21(3)12-14-9-5-7-11-16(14)24-18(23)19-2/h4-11H,12H2,1-3H3,(H,19,23)(H,20,22)
InChIKeyFHRCPPUWPPOWGF-UHFFFAOYSA-N
MW327.38 g/mol
LogP3.38
Rot. Bonds4

About [2-[[methyl-[(2-methylphenyl)carbamoyl]amino]methyl]phenyl] N-methylcarbamate

[2-[[methyl-[(2-methylphenyl)carbamoyl]amino]methyl]phenyl] N-methylcarbamate (PubChem CID 141249024) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is [2-[[methyl-[(2-methylphenyl)carbamoyl]amino]methyl]phenyl] N-methylcarbamate.

Molecular Properties

Compound Name[2-[[methyl-[(2-methylphenyl)carbamoyl]amino]methyl]phenyl] N-methylcarbamate
PubChem CID141249024
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name[2-[[methyl-[(2-methylphenyl)carbamoyl]amino]methyl]phenyl] N-methylcarbamate
SMILESCNC(=O)Oc1ccccc1CN(C)C(=O)Nc1ccccc1C
InChIInChI=1S/C18H21N3O3/c1-13-8-4-6-10-15(13)20-17(22)21(3)12-14-9-5-7-11-16(14)24-18(23)19-2/h4-11H,12H2,1-3H3,(H,19,23)(H,20,22)
InChIKeyFHRCPPUWPPOWGF-UHFFFAOYSA-N
XLogP3.38
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [2-[[methyl-[(2-methylphenyl)carbamoyl]amino]methyl]phenyl] N-methylcarbamate 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

1,3-dimethyl-1-[(2-methylphenyl)methyl]urea
CID 23563161
1-methyl-3-(2-methylphenyl)-1-[(1-methylpyrrol-2-yl)methyl]urea
CID 53016552
3-(3-chloro-2-methoxyphenyl)-1-methyl-1-[(2-methylphenyl)methyl]urea
CID 86837941
3-(3-bromo-4-methylphenyl)-1-[(2-methoxyphenyl)methyl]-1-methylurea
CID 78874633
3-(2,4-difluorophenyl)-1-methyl-1-[[2-(trifluoromethoxy)phenyl]methyl]urea
CID 46457495
N-[3-[[methyl-[(2-methylphenyl)methyl]carbamoyl]amino]phenyl]acetamide
CID 86987874
3-(3,5-difluorophenyl)-1-methyl-1-[(2-methylphenyl)methyl]urea
CID 86988105
1-[(2-bromophenyl)methyl]-3-[2-(difluoromethoxy)-6-methylphenyl]-1-methylurea
CID 56586797
1-methyl-1-[(2-methylphenyl)methyl]-3-naphthalen-2-ylurea
CID 78871918
2-[2-[[(2-bromophenyl)methyl-methylcarbamoyl]amino]phenyl]-N,N-dimethylacetamide
CID 60577453
1-[(2,4-difluorophenyl)methyl]-3-(2-fluorophenyl)-1-methylurea
CID 24664813
1-[(2-methoxyphenyl)methyl]-3-(2-methylphenyl)-1-(2-morpholin-4-ylethyl)urea
CID 42695927

Frequently Asked Questions

What is the IUPAC name of [2-[[methyl-[(2-methylphenyl)carbamoyl]amino]methyl]phenyl] N-methylcarbamate?
The IUPAC name of [2-[[methyl-[(2-methylphenyl)carbamoyl]amino]methyl]phenyl] N-methylcarbamate (CID 141249024) is [2-[[methyl-[(2-methylphenyl)carbamoyl]amino]methyl]phenyl] N-methylcarbamate.
What is the SMILES notation for [2-[[methyl-[(2-methylphenyl)carbamoyl]amino]methyl]phenyl] N-methylcarbamate?
The canonical SMILES for [2-[[methyl-[(2-methylphenyl)carbamoyl]amino]methyl]phenyl] N-methylcarbamate is CNC(=O)Oc1ccccc1CN(C)C(=O)Nc1ccccc1C.
What is the InChIKey of [2-[[methyl-[(2-methylphenyl)carbamoyl]amino]methyl]phenyl] N-methylcarbamate?
The InChIKey is FHRCPPUWPPOWGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-13-8-4-6-10-15(13)20-17(22)21(3)12-14-9-5-7-11-16(14)24-18(23)19-2/h4-11H,12H2,1-3H3,(H,19,23)(H,20,22).
What are the key properties of [2-[[methyl-[(2-methylphenyl)carbamoyl]amino]methyl]phenyl] N-methylcarbamate?
[2-[[methyl-[(2-methylphenyl)carbamoyl]amino]methyl]phenyl] N-methylcarbamate has a molecular weight of 327.38 g/mol, XLogP of 3.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[methyl-[(2-methylphenyl)carbamoyl]amino]methyl]phenyl] N-methylcarbamate is sourced from PubChem (CID 141249024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).