1-propan-2-yl-3-propylurea

C7H16N2O — CID 14343341

IUPAC1-propan-2-yl-3-propylurea
SMILESCCCNC(=O)NC(C)C
InChIInChI=1S/C7H16N2O/c1-4-5-8-7(10)9-6(2)3/h6H,4-5H2,1-3H3,(H2,8,9,10)
InChIKeyDCZBEHOWRHNYGL-UHFFFAOYSA-N
MW144.22 g/mol
LogP1.10
Rot. Bonds3

About 1-propan-2-yl-3-propylurea

1-propan-2-yl-3-propylurea (PubChem CID 14343341) has the molecular formula C7H16N2O and a molecular weight of 144.22 g/mol. Its IUPAC name is 1-propan-2-yl-3-propylurea.

Molecular Properties

Compound Name1-propan-2-yl-3-propylurea
PubChem CID14343341
Molecular FormulaC7H16N2O
Molecular Weight144.22 g/mol
Exact Mass144.13
IUPAC Name1-propan-2-yl-3-propylurea
SMILESCCCNC(=O)NC(C)C
InChIInChI=1S/C7H16N2O/c1-4-5-8-7(10)9-6(2)3/h6H,4-5H2,1-3H3,(H2,8,9,10)
InChIKeyDCZBEHOWRHNYGL-UHFFFAOYSA-N
XLogP1.10
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.22
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1,2-Propylene urea
CID 97832
sec-Butylurea
CID 12715
Isopropylurea
CID 12725
Butylurea
CID 11595
Propylurea
CID 12303
N,N'-Bis(1-methylethyl)urea
CID 20084
sym-Diethylurea
CID 12194
Dibutylurea
CID 74523
1,3-Bis[3-(dimethylamino)propyl]urea
CID 104163
Urea, 1-butyl-3-ethyl-
CID 95670
N-Butyl-N'-methylurea
CID 96349
N-Ethyl-N'-methylurea
CID 206567

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-3-propylurea?
The IUPAC name of 1-propan-2-yl-3-propylurea (CID 14343341) is 1-propan-2-yl-3-propylurea.
What is the SMILES notation for 1-propan-2-yl-3-propylurea?
The canonical SMILES for 1-propan-2-yl-3-propylurea is CCCNC(=O)NC(C)C.
What is the InChIKey of 1-propan-2-yl-3-propylurea?
The InChIKey is DCZBEHOWRHNYGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O/c1-4-5-8-7(10)9-6(2)3/h6H,4-5H2,1-3H3,(H2,8,9,10).
What are the key properties of 1-propan-2-yl-3-propylurea?
1-propan-2-yl-3-propylurea has a molecular weight of 144.22 g/mol, XLogP of 1.10, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-3-propylurea is sourced from PubChem (CID 14343341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).