1-[3-(cyclopropylmethoxymethyl)phenyl]-3-hexylurea

C18H28N2O2 — CID 60589978

IUPAC1-[3-(cyclopropylmethoxymethyl)phenyl]-3-hexylurea
SMILESCCCCCCNC(=O)Nc1cccc(COCC2CC2)c1
InChIInChI=1S/C18H28N2O2/c1-2-3-4-5-11-19-18(21)20-17-8-6-7-16(12-17)14-22-13-15-9-10-15/h6-8,12,15H,2-5,9-11,13-14H2,1H3,(H2,19,20,21)
InChIKeyQRUPDJSEGVBXCU-UHFFFAOYSA-N
MW304.43 g/mol
LogP4.32
Rot. Bonds10

About 1-[3-(cyclopropylmethoxymethyl)phenyl]-3-hexylurea

1-[3-(cyclopropylmethoxymethyl)phenyl]-3-hexylurea (PubChem CID 60589978) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is 1-[3-(cyclopropylmethoxymethyl)phenyl]-3-hexylurea.

Molecular Properties

Compound Name1-[3-(cyclopropylmethoxymethyl)phenyl]-3-hexylurea
PubChem CID60589978
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name1-[3-(cyclopropylmethoxymethyl)phenyl]-3-hexylurea
SMILESCCCCCCNC(=O)Nc1cccc(COCC2CC2)c1
InChIInChI=1S/C18H28N2O2/c1-2-3-4-5-11-19-18(21)20-17-8-6-7-16(12-17)14-22-13-15-9-10-15/h6-8,12,15H,2-5,9-11,13-14H2,1H3,(H2,19,20,21)
InChIKeyQRUPDJSEGVBXCU-UHFFFAOYSA-N
XLogP4.32
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(cyclopropylmethoxymethyl)phenyl]-3-[(6-methyl-2-pyridinyl)methyl]urea
CID 48644122
1-[3-(cyclopropylmethoxymethyl)phenyl]-3-(1-hydroxypropan-2-yl)urea
CID 110907808
1-(3-chlorophenyl)-3-undecylurea
CID 4294975
1-[3-(1,3-benzodioxol-5-yloxymethyl)phenyl]-3-pentylurea
CID 52641021
1-dodecyl-3-phenylurea
CID 3697946
4-amino-N-[3-(cyclopropylmethoxymethyl)phenyl]pentanamide
CID 120561459
N-[3-(cyclopropylmethoxymethyl)phenyl]-5-ethyl-2-hydroxybenzamide
CID 56552661
N-[4-[3-(cyclopropylmethoxymethyl)anilino]-4-oxobutyl]thiophene-3-carboxamide
CID 48584653
1-[4-(4-methylpiperidin-1-yl)butyl]-3-[3-(oxan-2-ylmethoxymethyl)phenyl]urea
CID 55820598
2-[3-(cyclopropylmethoxymethyl)anilino]-N-(ethylcarbamoyl)propanamide
CID 47079954
3-(pentylcarbamoylamino)benzamide
CID 47033052
N-[3-(cyclopropylmethoxymethyl)phenyl]-3,4,5-trimethoxybenzamide
CID 48584262

Frequently Asked Questions

What is the IUPAC name of 1-[3-(cyclopropylmethoxymethyl)phenyl]-3-hexylurea?
The IUPAC name of 1-[3-(cyclopropylmethoxymethyl)phenyl]-3-hexylurea (CID 60589978) is 1-[3-(cyclopropylmethoxymethyl)phenyl]-3-hexylurea.
What is the SMILES notation for 1-[3-(cyclopropylmethoxymethyl)phenyl]-3-hexylurea?
The canonical SMILES for 1-[3-(cyclopropylmethoxymethyl)phenyl]-3-hexylurea is CCCCCCNC(=O)Nc1cccc(COCC2CC2)c1.
What is the InChIKey of 1-[3-(cyclopropylmethoxymethyl)phenyl]-3-hexylurea?
The InChIKey is QRUPDJSEGVBXCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-2-3-4-5-11-19-18(21)20-17-8-6-7-16(12-17)14-22-13-15-9-10-15/h6-8,12,15H,2-5,9-11,13-14H2,1H3,(H2,19,20,21).
What are the key properties of 1-[3-(cyclopropylmethoxymethyl)phenyl]-3-hexylurea?
1-[3-(cyclopropylmethoxymethyl)phenyl]-3-hexylurea has a molecular weight of 304.43 g/mol, XLogP of 4.32, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(cyclopropylmethoxymethyl)phenyl]-3-hexylurea is sourced from PubChem (CID 60589978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).