carbamoylurea;2-methyl-1,3-di(propan-2-yl)benzene

C15H25N3O2 — CID 174706282

IUPACcarbamoylurea;2-methyl-1,3-di(propan-2-yl)benzene
SMILESCc1c(C(C)C)cccc1C(C)C.NC(=O)NC(N)=O
InChIInChI=1S/C13H20.C2H5N3O2/c1-9(2)12-7-6-8-13(10(3)4)11(12)5;3-1(6)5-2(4)7/h6-10H,1-5H3;(H5,3,4,5,6,7)
InChIKeySFOZRMXVAQOPIO-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.98
Rot. Bonds2

About carbamoylurea;2-methyl-1,3-di(propan-2-yl)benzene

carbamoylurea;2-methyl-1,3-di(propan-2-yl)benzene (PubChem CID 174706282) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is carbamoylurea;2-methyl-1,3-di(propan-2-yl)benzene.

Molecular Properties

Compound Namecarbamoylurea;2-methyl-1,3-di(propan-2-yl)benzene
PubChem CID174706282
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Namecarbamoylurea;2-methyl-1,3-di(propan-2-yl)benzene
SMILESCc1c(C(C)C)cccc1C(C)C.NC(=O)NC(N)=O
InChIInChI=1S/C13H20.C2H5N3O2/c1-9(2)12-7-6-8-13(10(3)4)11(12)5;3-1(6)5-2(4)7/h6-10H,1-5H3;(H5,3,4,5,6,7)
InChIKeySFOZRMXVAQOPIO-UHFFFAOYSA-N
XLogP2.98
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze carbamoylurea;2-methyl-1,3-di(propan-2-yl)benzene 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

ethene;methane;2-methyl-1,3-di(propan-2-yl)benzene
CID 142526423
(2R)-N-carbamoyl-2-(2-propan-2-ylphenoxy)propanamide
CID 95358323
1,2-dimethyl-3-propan-2-ylbenzene;N-methylmethanamine
CID 143062777
2,3-dimethyl-4-propan-2-ylbenzamide
CID 154461721
2,2-bis[2,6-di(propan-2-yl)phenyl]propanediamide
CID 142656757
2-chloro-N-(2-methyl-3-propan-2-ylphenyl)acetamide
CID 166429832
(2-methyl-3-propan-2-ylphenyl)-phenylmethanone
CID 123852812
1,3-bis[2,6-di(propan-2-yl)phenyl]urea
CID 12058189
methyl 2-(2-methyl-3-propan-2-ylphenoxy)acetate
CID 143093079
N-carbamoyl-2-[[(1R)-1-(2-methylphenyl)ethyl]amino]propanamide
CID 81374015
2-methoxy-2-(2-methyl-3-propan-2-ylphenyl)ethenone
CID 170204643
N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 729062

Frequently Asked Questions

What is the IUPAC name of carbamoylurea;2-methyl-1,3-di(propan-2-yl)benzene?
The IUPAC name of carbamoylurea;2-methyl-1,3-di(propan-2-yl)benzene (CID 174706282) is carbamoylurea;2-methyl-1,3-di(propan-2-yl)benzene.
What is the SMILES notation for carbamoylurea;2-methyl-1,3-di(propan-2-yl)benzene?
The canonical SMILES for carbamoylurea;2-methyl-1,3-di(propan-2-yl)benzene is Cc1c(C(C)C)cccc1C(C)C.NC(=O)NC(N)=O.
What is the InChIKey of carbamoylurea;2-methyl-1,3-di(propan-2-yl)benzene?
The InChIKey is SFOZRMXVAQOPIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20.C2H5N3O2/c1-9(2)12-7-6-8-13(10(3)4)11(12)5;3-1(6)5-2(4)7/h6-10H,1-5H3;(H5,3,4,5,6,7).
What are the key properties of carbamoylurea;2-methyl-1,3-di(propan-2-yl)benzene?
carbamoylurea;2-methyl-1,3-di(propan-2-yl)benzene has a molecular weight of 279.38 g/mol, XLogP of 2.98, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbamoylurea;2-methyl-1,3-di(propan-2-yl)benzene is sourced from PubChem (CID 174706282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).