1,3-dimethyl-1-[(4-propan-2-ylphenyl)methyl]urea

C13H20N2O — CID 47127099

IUPAC1,3-dimethyl-1-[(4-propan-2-ylphenyl)methyl]urea
SMILESCNC(=O)N(C)Cc1ccc(C(C)C)cc1
InChIInChI=1S/C13H20N2O/c1-10(2)12-7-5-11(6-8-12)9-15(4)13(16)14-3/h5-8,10H,9H2,1-4H3,(H,14,16)
InChIKeyLVCYHXBDNMLIOB-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.58
Rot. Bonds3

About 1,3-dimethyl-1-[(4-propan-2-ylphenyl)methyl]urea

1,3-dimethyl-1-[(4-propan-2-ylphenyl)methyl]urea (PubChem CID 47127099) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 1,3-dimethyl-1-[(4-propan-2-ylphenyl)methyl]urea.

Molecular Properties

Compound Name1,3-dimethyl-1-[(4-propan-2-ylphenyl)methyl]urea
PubChem CID47127099
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name1,3-dimethyl-1-[(4-propan-2-ylphenyl)methyl]urea
SMILESCNC(=O)N(C)Cc1ccc(C(C)C)cc1
InChIInChI=1S/C13H20N2O/c1-10(2)12-7-5-11(6-8-12)9-15(4)13(16)14-3/h5-8,10H,9H2,1-4H3,(H,14,16)
InChIKeyLVCYHXBDNMLIOB-UHFFFAOYSA-N
XLogP2.58
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-methyl-N-[(4-propan-2-ylphenyl)methyl]acetamide
CID 60631160
methyl N-methyl-N-[(4-propan-2-ylphenyl)methyl]carbamate
CID 115190583
3-[methyl-[(4-propan-2-ylphenyl)methyl]amino]-3-oxopropanoic acid
CID 62231087
1-[(4-tert-butylphenyl)methyl]-1,3-dimethylurea
CID 47127305
1-[(4-methoxyphenyl)methyl]-1,3-dimethylurea
CID 115575178
2-hydroxyethyl N-methyl-N-[(4-propan-2-ylphenyl)methyl]carbamate
CID 79345773
3-amino-N,2-dimethyl-N-[(4-propan-2-ylphenyl)methyl]propanamide
CID 62671042
3-(ethylamino)-N-methyl-N-[(4-propan-2-ylphenyl)methyl]butanamide
CID 62838320
1-[(4-aminophenyl)methyl]-1-methyl-3-propan-2-ylurea
CID 43458218
2-amino-N,2-dimethyl-N-[(4-propan-2-ylphenyl)methyl]pentanamide;hydrochloride
CID 119681995
N-methyl-N-[(4-propan-2-ylphenyl)methyl]-2-(prop-2-enylamino)acetamide
CID 78914551
2-amino-N-methyl-N-[(4-propan-2-ylphenyl)methyl]cyclopropane-1-carboxamide
CID 114997651

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-1-[(4-propan-2-ylphenyl)methyl]urea?
The IUPAC name of 1,3-dimethyl-1-[(4-propan-2-ylphenyl)methyl]urea (CID 47127099) is 1,3-dimethyl-1-[(4-propan-2-ylphenyl)methyl]urea.
What is the SMILES notation for 1,3-dimethyl-1-[(4-propan-2-ylphenyl)methyl]urea?
The canonical SMILES for 1,3-dimethyl-1-[(4-propan-2-ylphenyl)methyl]urea is CNC(=O)N(C)Cc1ccc(C(C)C)cc1.
What is the InChIKey of 1,3-dimethyl-1-[(4-propan-2-ylphenyl)methyl]urea?
The InChIKey is LVCYHXBDNMLIOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-10(2)12-7-5-11(6-8-12)9-15(4)13(16)14-3/h5-8,10H,9H2,1-4H3,(H,14,16).
What are the key properties of 1,3-dimethyl-1-[(4-propan-2-ylphenyl)methyl]urea?
1,3-dimethyl-1-[(4-propan-2-ylphenyl)methyl]urea has a molecular weight of 220.32 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-1-[(4-propan-2-ylphenyl)methyl]urea is sourced from PubChem (CID 47127099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).