1,3-dibutyl-1-(butylcarbamoyl)urea

C14H29N3O2 — CID 101342122

IUPAC1,3-dibutyl-1-(butylcarbamoyl)urea
SMILESCCCCNC(=O)N(CCCC)C(=O)NCCCC
InChIInChI=1S/C14H29N3O2/c1-4-7-10-15-13(18)17(12-9-6-3)14(19)16-11-8-5-2/h4-12H2,1-3H3,(H,15,18)(H,16,19)
InChIKeyITFPUEUZCQCOGA-UHFFFAOYSA-N
MW271.40 g/mol
LogP3.11
Rot. Bonds9

About 1,3-dibutyl-1-(butylcarbamoyl)urea

1,3-dibutyl-1-(butylcarbamoyl)urea (PubChem CID 101342122) has the molecular formula C14H29N3O2 and a molecular weight of 271.40 g/mol. Its IUPAC name is 1,3-dibutyl-1-(butylcarbamoyl)urea.

Molecular Properties

Compound Name1,3-dibutyl-1-(butylcarbamoyl)urea
PubChem CID101342122
Molecular FormulaC14H29N3O2
Molecular Weight271.40 g/mol
Exact Mass271.23
IUPAC Name1,3-dibutyl-1-(butylcarbamoyl)urea
SMILESCCCCNC(=O)N(CCCC)C(=O)NCCCC
InChIInChI=1S/C14H29N3O2/c1-4-7-10-15-13(18)17(12-9-6-3)14(19)16-11-8-5-2/h4-12H2,1-3H3,(H,15,18)(H,16,19)
InChIKeyITFPUEUZCQCOGA-UHFFFAOYSA-N
XLogP3.11
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 53.11
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-diheptyl-1-(hexylcarbamoyl)urea
CID 89190547
1-(heptylcarbamoyl)-1-hexyl-3-(7-methyloctyl)urea
CID 123349591
3-butyl-1-(butylcarbamoyl)-1-methylurea
CID 173294648
N-dodecyl-N-(dodecylcarbamoyl)henicosanamide
CID 54179843
4-[6-[bis(heptylcarbamoyl)amino]hexylcarbamoyloxy]butyl N-[6-[bis(heptylcarbamoyl)amino]hexyl]carbamate
CID 20789752
2-[butyl(butylcarbamoyl)amino]acetamide
CID 115585915
2-[butylcarbamoyl(propyl)amino]acetic acid
CID 61008492
1,1,3-tri(undecyl)urea
CID 168918847
3-butyl-1-[3-(diethylamino)propyl]-1-ethylurea
CID 102992273
methane;1,1,3-trioctylurea
CID 163789497
butylcarbamic acid
CID 3026651
1-butyl-3-[4-(butylcarbamoylamino)butyl]urea
CID 161375219

Frequently Asked Questions

What is the IUPAC name of 1,3-dibutyl-1-(butylcarbamoyl)urea?
The IUPAC name of 1,3-dibutyl-1-(butylcarbamoyl)urea (CID 101342122) is 1,3-dibutyl-1-(butylcarbamoyl)urea.
What is the SMILES notation for 1,3-dibutyl-1-(butylcarbamoyl)urea?
The canonical SMILES for 1,3-dibutyl-1-(butylcarbamoyl)urea is CCCCNC(=O)N(CCCC)C(=O)NCCCC.
What is the InChIKey of 1,3-dibutyl-1-(butylcarbamoyl)urea?
The InChIKey is ITFPUEUZCQCOGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2/c1-4-7-10-15-13(18)17(12-9-6-3)14(19)16-11-8-5-2/h4-12H2,1-3H3,(H,15,18)(H,16,19).
What are the key properties of 1,3-dibutyl-1-(butylcarbamoyl)urea?
1,3-dibutyl-1-(butylcarbamoyl)urea has a molecular weight of 271.40 g/mol, XLogP of 3.11, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dibutyl-1-(butylcarbamoyl)urea is sourced from PubChem (CID 101342122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).