1-(4-butylphenyl)-3-pentan-3-ylurea

C16H26N2O — CID 17279678

IUPAC1-(4-butylphenyl)-3-pentan-3-ylurea
SMILESCCCCc1ccc(NC(=O)NC(CC)CC)cc1
InChIInChI=1S/C16H26N2O/c1-4-7-8-13-9-11-15(12-10-13)18-16(19)17-14(5-2)6-3/h9-12,14H,4-8H2,1-3H3,(H2,17,18,19)
InChIKeyKJTBEZKBWOGIIM-UHFFFAOYSA-N
MW262.40 g/mol
LogP4.34
Rot. Bonds7

About 1-(4-butylphenyl)-3-pentan-3-ylurea

1-(4-butylphenyl)-3-pentan-3-ylurea (PubChem CID 17279678) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-(4-butylphenyl)-3-pentan-3-ylurea.

Molecular Properties

Compound Name1-(4-butylphenyl)-3-pentan-3-ylurea
PubChem CID17279678
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name1-(4-butylphenyl)-3-pentan-3-ylurea
SMILESCCCCc1ccc(NC(=O)NC(CC)CC)cc1
InChIInChI=1S/C16H26N2O/c1-4-7-8-13-9-11-15(12-10-13)18-16(19)17-14(5-2)6-3/h9-12,14H,4-8H2,1-3H3,(H2,17,18,19)
InChIKeyKJTBEZKBWOGIIM-UHFFFAOYSA-N
XLogP4.34
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(4-butylphenyl)carbamoylamino]-3-methylpentanoic acid
CID 3939200
1-(4-butylphenyl)-3-(4-ethylphenyl)urea
CID 4616049
4-(dimethylamino)-3-[(4-pentylphenyl)carbamoylamino]butanoic acid
CID 163799275
methyl (2R)-2-[(4-butylphenyl)carbamoylamino]propanoate
CID 7660335
2-[(4-butylphenyl)carbamoylamino]-3-hydroxypropanoic acid
CID 61197493
1-[(2R)-1-chloropropan-2-yl]-3-(4-heptylphenyl)urea
CID 12985368
3-(4-butylanilino)pentanoic acid
CID 70616353
N,N'-bis(4-butylphenyl)oxamide
CID 3438016
1-(4-bromophenyl)-3-(4-butylphenyl)urea
CID 108869207
methyl (2S)-2-[(4-butylphenyl)carbamoylamino]-3-methylbutanoate
CID 2022302
1-[bis(4-bromophenyl)methyl]-3-(4-hexylphenyl)urea
CID 11628084
2-bromo-N-(4-butylphenyl)butanamide
CID 63463837

Frequently Asked Questions

What is the IUPAC name of 1-(4-butylphenyl)-3-pentan-3-ylurea?
The IUPAC name of 1-(4-butylphenyl)-3-pentan-3-ylurea (CID 17279678) is 1-(4-butylphenyl)-3-pentan-3-ylurea.
What is the SMILES notation for 1-(4-butylphenyl)-3-pentan-3-ylurea?
The canonical SMILES for 1-(4-butylphenyl)-3-pentan-3-ylurea is CCCCc1ccc(NC(=O)NC(CC)CC)cc1.
What is the InChIKey of 1-(4-butylphenyl)-3-pentan-3-ylurea?
The InChIKey is KJTBEZKBWOGIIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-4-7-8-13-9-11-15(12-10-13)18-16(19)17-14(5-2)6-3/h9-12,14H,4-8H2,1-3H3,(H2,17,18,19).
What are the key properties of 1-(4-butylphenyl)-3-pentan-3-ylurea?
1-(4-butylphenyl)-3-pentan-3-ylurea has a molecular weight of 262.40 g/mol, XLogP of 4.34, 7 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butylphenyl)-3-pentan-3-ylurea is sourced from PubChem (CID 17279678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).