N-propan-2-yl-N-(propylcarbamoyl)acetamide

C9H18N2O2 — CID 91523830

IUPACN-propan-2-yl-N-(propylcarbamoyl)acetamide
SMILESCCCNC(=O)N(C(C)=O)C(C)C
InChIInChI=1S/C9H18N2O2/c1-5-6-10-9(13)11(7(2)3)8(4)12/h7H,5-6H2,1-4H3,(H,10,13)
InChIKeyRZTUVBZNMXRRTA-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.36
Rot. Bonds3

About N-propan-2-yl-N-(propylcarbamoyl)acetamide

N-propan-2-yl-N-(propylcarbamoyl)acetamide (PubChem CID 91523830) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is N-propan-2-yl-N-(propylcarbamoyl)acetamide.

Molecular Properties

Compound NameN-propan-2-yl-N-(propylcarbamoyl)acetamide
PubChem CID91523830
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC NameN-propan-2-yl-N-(propylcarbamoyl)acetamide
SMILESCCCNC(=O)N(C(C)=O)C(C)C
InChIInChI=1S/C9H18N2O2/c1-5-6-10-9(13)11(7(2)3)8(4)12/h7H,5-6H2,1-4H3,(H,10,13)
InChIKeyRZTUVBZNMXRRTA-UHFFFAOYSA-N
XLogP1.36
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-N-(propylcarbamoyl)acetamide?
The IUPAC name of N-propan-2-yl-N-(propylcarbamoyl)acetamide (CID 91523830) is N-propan-2-yl-N-(propylcarbamoyl)acetamide.
What is the SMILES notation for N-propan-2-yl-N-(propylcarbamoyl)acetamide?
The canonical SMILES for N-propan-2-yl-N-(propylcarbamoyl)acetamide is CCCNC(=O)N(C(C)=O)C(C)C.
What is the InChIKey of N-propan-2-yl-N-(propylcarbamoyl)acetamide?
The InChIKey is RZTUVBZNMXRRTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-5-6-10-9(13)11(7(2)3)8(4)12/h7H,5-6H2,1-4H3,(H,10,13).
What are the key properties of N-propan-2-yl-N-(propylcarbamoyl)acetamide?
N-propan-2-yl-N-(propylcarbamoyl)acetamide has a molecular weight of 186.25 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-N-(propylcarbamoyl)acetamide is sourced from PubChem (CID 91523830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).