1-(3-methylphenyl)-1-pentylurea

C13H20N2O — CID 3032149

IUPAC1-(3-methylphenyl)-1-pentylurea
SMILESCCCCCN(C(N)=O)c1cccc(C)c1
InChIInChI=1S/C13H20N2O/c1-3-4-5-9-15(13(14)16)12-8-6-7-11(2)10-12/h6-8,10H,3-5,9H2,1-2H3,(H2,14,16)
InChIKeyDENUYOQCQDDVKE-UHFFFAOYSA-N
MW220.32 g/mol
LogP3.07
Rot. Bonds5

About 1-(3-methylphenyl)-1-pentylurea

1-(3-methylphenyl)-1-pentylurea (PubChem CID 3032149) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 1-(3-methylphenyl)-1-pentylurea.

Molecular Properties

Compound Name1-(3-methylphenyl)-1-pentylurea
PubChem CID3032149
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name1-(3-methylphenyl)-1-pentylurea
SMILESCCCCCN(C(N)=O)c1cccc(C)c1
InChIInChI=1S/C13H20N2O/c1-3-4-5-9-15(13(14)16)12-8-6-7-11(2)10-12/h6-8,10H,3-5,9H2,1-2H3,(H2,14,16)
InChIKeyDENUYOQCQDDVKE-UHFFFAOYSA-N
XLogP3.07
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-heptyl-N-(3-methylphenyl)propanamide
CID 167100434
N-butyl-2,2-dimethyl-N-(3-methylphenyl)butanamide
CID 71107115
3-[butyl(methyl)amino]-N-ethyl-N-(3-methylphenyl)propanamide
CID 109032470
N-(3-aminopropyl)-2,2-dimethyl-N-(3-methylphenyl)propanamide
CID 28766915
N-(3-aminopropyl)-2,2-dimethyl-N-(3-methylphenyl)butanamide
CID 62677230
2-(N-acetyl-3-methylanilino)-N-butyl-N-methylacetamide
CID 113167534
N-(3-aminopropyl)-2-ethoxy-N-(3-methylphenyl)acetamide
CID 43135951
N,N-dibutyl-3-methylaniline
CID 15332677
4-methyl-N-(3-methylphenyl)-N-propylbenzamide
CID 17319549
N-ethyl-N-(3-methylphenyl)-3-(pentylamino)propanamide
CID 109032323
N-ethyl-N-(3-methylphenyl)carbamoyl chloride
CID 79001605
3-amino-N-ethyl-N-(3-methylphenyl)propanamide
CID 22692119

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-1-pentylurea?
The IUPAC name of 1-(3-methylphenyl)-1-pentylurea (CID 3032149) is 1-(3-methylphenyl)-1-pentylurea.
What is the SMILES notation for 1-(3-methylphenyl)-1-pentylurea?
The canonical SMILES for 1-(3-methylphenyl)-1-pentylurea is CCCCCN(C(N)=O)c1cccc(C)c1.
What is the InChIKey of 1-(3-methylphenyl)-1-pentylurea?
The InChIKey is DENUYOQCQDDVKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-3-4-5-9-15(13(14)16)12-8-6-7-11(2)10-12/h6-8,10H,3-5,9H2,1-2H3,(H2,14,16).
What are the key properties of 1-(3-methylphenyl)-1-pentylurea?
1-(3-methylphenyl)-1-pentylurea has a molecular weight of 220.32 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)-1-pentylurea is sourced from PubChem (CID 3032149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).