1-[(2-methylphenyl)methyl]-3-[(2-propan-2-yloxan-3-yl)methyl]urea

C18H28N2O2 — CID 136513367

IUPAC1-[(2-methylphenyl)methyl]-3-[(2-propan-2-yloxan-3-yl)methyl]urea
SMILESCc1ccccc1CNC(=O)NCC1CCCOC1C(C)C
InChIInChI=1S/C18H28N2O2/c1-13(2)17-16(9-6-10-22-17)12-20-18(21)19-11-15-8-5-4-7-14(15)3/h4-5,7-8,13,16-17H,6,9-12H2,1-3H3,(H2,19,20,21)
InChIKeyGJKYCJPBRNRZBB-UHFFFAOYSA-N
MW304.43 g/mol
LogP3.25
Rot. Bonds5

About 1-[(2-methylphenyl)methyl]-3-[(2-propan-2-yloxan-3-yl)methyl]urea

1-[(2-methylphenyl)methyl]-3-[(2-propan-2-yloxan-3-yl)methyl]urea (PubChem CID 136513367) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is 1-[(2-methylphenyl)methyl]-3-[(2-propan-2-yloxan-3-yl)methyl]urea.

Molecular Properties

Compound Name1-[(2-methylphenyl)methyl]-3-[(2-propan-2-yloxan-3-yl)methyl]urea
PubChem CID136513367
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name1-[(2-methylphenyl)methyl]-3-[(2-propan-2-yloxan-3-yl)methyl]urea
SMILESCc1ccccc1CNC(=O)NCC1CCCOC1C(C)C
InChIInChI=1S/C18H28N2O2/c1-13(2)17-16(9-6-10-22-17)12-20-18(21)19-11-15-8-5-4-7-14(15)3/h4-5,7-8,13,16-17H,6,9-12H2,1-3H3,(H2,19,20,21)
InChIKeyGJKYCJPBRNRZBB-UHFFFAOYSA-N
XLogP3.25
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[(2-methylphenyl)methyl]-3-[(2-propan-2-yloxan-3-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-[2-(methylsulfanylmethyl)phenyl]-3-[[(2S,3S)-2-propan-2-yloxan-3-yl]methyl]urea
CID 129398671
(2S)-2-methoxy-2-phenyl-N-[[(2R,3R)-2-propan-2-yloxan-3-yl]methyl]propanamide
CID 129471102
(2S)-2-amino-N-[(2-propan-2-yloxan-3-yl)methyl]propanamide;hydrochloride
CID 119344063
1-(5-methyl-2-pyridinyl)-3-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]urea
CID 128999330
2-(5-fluoro-2-methoxyphenyl)-N-[[(2S,3S)-2-propan-2-yloxan-3-yl]methyl]acetamide
CID 129399228
2-(5-fluoro-2-methoxyphenyl)-N-[[(2R,3S)-2-propan-2-yloxan-3-yl]methyl]acetamide
CID 129399227
2-(5-fluoro-2-methoxyphenyl)-N-[[(2S,3R)-2-propan-2-yloxan-3-yl]methyl]acetamide
CID 129399230
1-amino-N-[(2-propan-2-yloxan-3-yl)methyl]cyclopropane-1-carboxamide
CID 119819545
2-methyl-1-[(2-methylphenyl)methyl]-3-[[2-(4-methylphenyl)oxan-3-yl]methyl]guanidine
CID 111620244
3-amino-2-methyl-N-[(2-propan-2-yloxan-3-yl)methyl]butanamide;hydrochloride
CID 120502267
1-propan-2-yl-3-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]urea
CID 128997473
1-[(7-methoxy-1-benzofuran-2-yl)methyl]-3-[[(2S,3S)-2-propan-2-yloxolan-3-yl]methyl]urea
CID 97221546

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylphenyl)methyl]-3-[(2-propan-2-yloxan-3-yl)methyl]urea?
The IUPAC name of 1-[(2-methylphenyl)methyl]-3-[(2-propan-2-yloxan-3-yl)methyl]urea (CID 136513367) is 1-[(2-methylphenyl)methyl]-3-[(2-propan-2-yloxan-3-yl)methyl]urea.
What is the SMILES notation for 1-[(2-methylphenyl)methyl]-3-[(2-propan-2-yloxan-3-yl)methyl]urea?
The canonical SMILES for 1-[(2-methylphenyl)methyl]-3-[(2-propan-2-yloxan-3-yl)methyl]urea is Cc1ccccc1CNC(=O)NCC1CCCOC1C(C)C.
What is the InChIKey of 1-[(2-methylphenyl)methyl]-3-[(2-propan-2-yloxan-3-yl)methyl]urea?
The InChIKey is GJKYCJPBRNRZBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-13(2)17-16(9-6-10-22-17)12-20-18(21)19-11-15-8-5-4-7-14(15)3/h4-5,7-8,13,16-17H,6,9-12H2,1-3H3,(H2,19,20,21).
What are the key properties of 1-[(2-methylphenyl)methyl]-3-[(2-propan-2-yloxan-3-yl)methyl]urea?
1-[(2-methylphenyl)methyl]-3-[(2-propan-2-yloxan-3-yl)methyl]urea has a molecular weight of 304.43 g/mol, XLogP of 3.25, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylphenyl)methyl]-3-[(2-propan-2-yloxan-3-yl)methyl]urea is sourced from PubChem (CID 136513367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).