N-[3-(propylcarbamoylamino)phenyl]acetamide

C12H17N3O2 — CID 6468901

IUPACN-[3-(propylcarbamoylamino)phenyl]acetamide
SMILESCCCNC(=O)Nc1cccc(NC(C)=O)c1
InChIInChI=1S/C12H17N3O2/c1-3-7-13-12(17)15-11-6-4-5-10(8-11)14-9(2)16/h4-6,8H,3,7H2,1-2H3,(H,14,16)(H2,13,15,17)
InChIKeyRNDJTMGUZKWTIR-UHFFFAOYSA-N
MW235.29 g/mol
LogP2.18
Rot. Bonds4

About N-[3-(propylcarbamoylamino)phenyl]acetamide

N-[3-(propylcarbamoylamino)phenyl]acetamide (PubChem CID 6468901) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is N-[3-(propylcarbamoylamino)phenyl]acetamide.

Molecular Properties

Compound NameN-[3-(propylcarbamoylamino)phenyl]acetamide
PubChem CID6468901
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC NameN-[3-(propylcarbamoylamino)phenyl]acetamide
SMILESCCCNC(=O)Nc1cccc(NC(C)=O)c1
InChIInChI=1S/C12H17N3O2/c1-3-7-13-12(17)15-11-6-4-5-10(8-11)14-9(2)16/h4-6,8H,3,7H2,1-2H3,(H,14,16)(H2,13,15,17)
InChIKeyRNDJTMGUZKWTIR-UHFFFAOYSA-N
XLogP2.18
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[3-(propylcarbamoylamino)phenyl]acetamide?
The IUPAC name of N-[3-(propylcarbamoylamino)phenyl]acetamide (CID 6468901) is N-[3-(propylcarbamoylamino)phenyl]acetamide.
What is the SMILES notation for N-[3-(propylcarbamoylamino)phenyl]acetamide?
The canonical SMILES for N-[3-(propylcarbamoylamino)phenyl]acetamide is CCCNC(=O)Nc1cccc(NC(C)=O)c1.
What is the InChIKey of N-[3-(propylcarbamoylamino)phenyl]acetamide?
The InChIKey is RNDJTMGUZKWTIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-3-7-13-12(17)15-11-6-4-5-10(8-11)14-9(2)16/h4-6,8H,3,7H2,1-2H3,(H,14,16)(H2,13,15,17).
What are the key properties of N-[3-(propylcarbamoylamino)phenyl]acetamide?
N-[3-(propylcarbamoylamino)phenyl]acetamide has a molecular weight of 235.29 g/mol, XLogP of 2.18, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(propylcarbamoylamino)phenyl]acetamide is sourced from PubChem (CID 6468901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).