1-(4-heptylphenyl)-3-propylurea

C17H28N2O — CID 142021842

IUPAC1-(4-heptylphenyl)-3-propylurea
SMILESCCCCCCCc1ccc(NC(=O)NCCC)cc1
InChIInChI=1S/C17H28N2O/c1-3-5-6-7-8-9-15-10-12-16(13-11-15)19-17(20)18-14-4-2/h10-13H,3-9,14H2,1-2H3,(H2,18,19,20)
InChIKeyAXWZOWANNKTCRV-UHFFFAOYSA-N
MW276.42 g/mol
LogP4.73
Rot. Bonds9

About 1-(4-heptylphenyl)-3-propylurea

1-(4-heptylphenyl)-3-propylurea (PubChem CID 142021842) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 1-(4-heptylphenyl)-3-propylurea.

Molecular Properties

Compound Name1-(4-heptylphenyl)-3-propylurea
PubChem CID142021842
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name1-(4-heptylphenyl)-3-propylurea
SMILESCCCCCCCc1ccc(NC(=O)NCCC)cc1
InChIInChI=1S/C17H28N2O/c1-3-5-6-7-8-9-15-10-12-16(13-11-15)19-17(20)18-14-4-2/h10-13H,3-9,14H2,1-2H3,(H2,18,19,20)
InChIKeyAXWZOWANNKTCRV-UHFFFAOYSA-N
XLogP4.73
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(2-chloroethyl)-3-(4-decylphenyl)urea
CID 10382534
1-(2-bromoethyl)-3-(4-heptylphenyl)urea
CID 86013146
4-[4-(butylcarbamoylamino)phenyl]butanoic acid
CID 68943734
1-octadecyl-3-[4-[[4-(octadecylamino)phenyl]methyl]phenyl]urea
CID 176858089
3-[4-(butylcarbamoylamino)phenyl]propanamide
CID 91054834
N-(4-heptylphenyl)heptanamide
CID 101077737
4-[(4-butylphenyl)carbamoylamino]-2-methylbutanoic acid
CID 80537856
1-(4-butylphenyl)-3-(4-ethylphenyl)urea
CID 4616049
1-decyl-3-[10-(4-hydroxyphenyl)decyl]urea
CID 18183954
1-(4-chlorophenyl)-3-undecylurea
CID 3711116
N'-(4-dodecylphenyl)oxamide
CID 118096540
1-(4-fluorophenyl)-3-octadecylurea
CID 4518520

Frequently Asked Questions

What is the IUPAC name of 1-(4-heptylphenyl)-3-propylurea?
The IUPAC name of 1-(4-heptylphenyl)-3-propylurea (CID 142021842) is 1-(4-heptylphenyl)-3-propylurea.
What is the SMILES notation for 1-(4-heptylphenyl)-3-propylurea?
The canonical SMILES for 1-(4-heptylphenyl)-3-propylurea is CCCCCCCc1ccc(NC(=O)NCCC)cc1.
What is the InChIKey of 1-(4-heptylphenyl)-3-propylurea?
The InChIKey is AXWZOWANNKTCRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-3-5-6-7-8-9-15-10-12-16(13-11-15)19-17(20)18-14-4-2/h10-13H,3-9,14H2,1-2H3,(H2,18,19,20).
What are the key properties of 1-(4-heptylphenyl)-3-propylurea?
1-(4-heptylphenyl)-3-propylurea has a molecular weight of 276.42 g/mol, XLogP of 4.73, 9 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-heptylphenyl)-3-propylurea is sourced from PubChem (CID 142021842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).