3-butyl-1-[3-(diethylamino)propyl]-1-ethylurea

C14H31N3O — CID 102992273

IUPAC3-butyl-1-[3-(diethylamino)propyl]-1-ethylurea
SMILESCCCCNC(=O)N(CC)CCCN(CC)CC
InChIInChI=1S/C14H31N3O/c1-5-9-11-15-14(18)17(8-4)13-10-12-16(6-2)7-3/h5-13H2,1-4H3,(H,15,18)
InChIKeyVLSZGXBFFKXICM-UHFFFAOYSA-N
MW257.42 g/mol
LogP2.55
Rot. Bonds10

About 3-butyl-1-[3-(diethylamino)propyl]-1-ethylurea

3-butyl-1-[3-(diethylamino)propyl]-1-ethylurea (PubChem CID 102992273) has the molecular formula C14H31N3O and a molecular weight of 257.42 g/mol. Its IUPAC name is 3-butyl-1-[3-(diethylamino)propyl]-1-ethylurea.

Molecular Properties

Compound Name3-butyl-1-[3-(diethylamino)propyl]-1-ethylurea
PubChem CID102992273
Molecular FormulaC14H31N3O
Molecular Weight257.42 g/mol
Exact Mass257.25
IUPAC Name3-butyl-1-[3-(diethylamino)propyl]-1-ethylurea
SMILESCCCCNC(=O)N(CC)CCCN(CC)CC
InChIInChI=1S/C14H31N3O/c1-5-9-11-15-14(18)17(8-4)13-10-12-16(6-2)7-3/h5-13H2,1-4H3,(H,15,18)
InChIKeyVLSZGXBFFKXICM-UHFFFAOYSA-N
XLogP2.55
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,1,3-tri(undecyl)urea
CID 168918847
methane;1,1,3-trioctylurea
CID 163789497
2-[butyl(butylcarbamoyl)amino]acetamide
CID 115585915
N-[3-(diethylamino)propyl]-N-ethylacetamide
CID 102998319
4-[[butyl(ethyl)carbamoyl]amino]-2-methylbutanoic acid
CID 80540676
2-[butylcarbamoyl(propyl)amino]acetic acid
CID 61008492
2-[[3-(diethylamino)propyl-ethylcarbamoyl]amino]propanoic acid
CID 102995511
2-[butylcarbamoyl-[2-(dimethylamino)ethyl]amino]acetic acid
CID 107424410
1,3-dibutyl-1-(butylcarbamoyl)urea
CID 101342122
3-[ethyl(propylcarbamoyl)amino]propanoic acid
CID 61007804
3-hexadecyl-1-(2-hydroxyethyl)-1-octadecylurea
CID 88673978
3-butyl-1-(butylcarbamoyl)-1-methylurea
CID 173294648

Frequently Asked Questions

What is the IUPAC name of 3-butyl-1-[3-(diethylamino)propyl]-1-ethylurea?
The IUPAC name of 3-butyl-1-[3-(diethylamino)propyl]-1-ethylurea (CID 102992273) is 3-butyl-1-[3-(diethylamino)propyl]-1-ethylurea.
What is the SMILES notation for 3-butyl-1-[3-(diethylamino)propyl]-1-ethylurea?
The canonical SMILES for 3-butyl-1-[3-(diethylamino)propyl]-1-ethylurea is CCCCNC(=O)N(CC)CCCN(CC)CC.
What is the InChIKey of 3-butyl-1-[3-(diethylamino)propyl]-1-ethylurea?
The InChIKey is VLSZGXBFFKXICM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3O/c1-5-9-11-15-14(18)17(8-4)13-10-12-16(6-2)7-3/h5-13H2,1-4H3,(H,15,18).
What are the key properties of 3-butyl-1-[3-(diethylamino)propyl]-1-ethylurea?
3-butyl-1-[3-(diethylamino)propyl]-1-ethylurea has a molecular weight of 257.42 g/mol, XLogP of 2.55, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-1-[3-(diethylamino)propyl]-1-ethylurea is sourced from PubChem (CID 102992273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).