2-(cyclopropylcarbamoylamino)-N-(2-phenoxyphenyl)acetamide

C18H19N3O3 — CID 113000974

IUPAC2-(cyclopropylcarbamoylamino)-N-(2-phenoxyphenyl)acetamide
SMILESO=C(CNC(=O)NC1CC1)Nc1ccccc1Oc1ccccc1
InChIInChI=1S/C18H19N3O3/c22-17(12-19-18(23)20-13-10-11-13)21-15-8-4-5-9-16(15)24-14-6-2-1-3-7-14/h1-9,13H,10-12H2,(H,21,22)(H2,19,20,23)
InChIKeyJMNPOTJLTHQXDJ-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.88
Rot. Bonds6

About 2-(cyclopropylcarbamoylamino)-N-(2-phenoxyphenyl)acetamide

2-(cyclopropylcarbamoylamino)-N-(2-phenoxyphenyl)acetamide (PubChem CID 113000974) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is 2-(cyclopropylcarbamoylamino)-N-(2-phenoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(cyclopropylcarbamoylamino)-N-(2-phenoxyphenyl)acetamide
PubChem CID113000974
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Name2-(cyclopropylcarbamoylamino)-N-(2-phenoxyphenyl)acetamide
SMILESO=C(CNC(=O)NC1CC1)Nc1ccccc1Oc1ccccc1
InChIInChI=1S/C18H19N3O3/c22-17(12-19-18(23)20-13-10-11-13)21-15-8-4-5-9-16(15)24-14-6-2-1-3-7-14/h1-9,13H,10-12H2,(H,21,22)(H2,19,20,23)
InChIKeyJMNPOTJLTHQXDJ-UHFFFAOYSA-N
XLogP2.88
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylcarbamoylamino)-N-(2-phenoxyphenyl)acetamide?
The IUPAC name of 2-(cyclopropylcarbamoylamino)-N-(2-phenoxyphenyl)acetamide (CID 113000974) is 2-(cyclopropylcarbamoylamino)-N-(2-phenoxyphenyl)acetamide.
What is the SMILES notation for 2-(cyclopropylcarbamoylamino)-N-(2-phenoxyphenyl)acetamide?
The canonical SMILES for 2-(cyclopropylcarbamoylamino)-N-(2-phenoxyphenyl)acetamide is O=C(CNC(=O)NC1CC1)Nc1ccccc1Oc1ccccc1.
What is the InChIKey of 2-(cyclopropylcarbamoylamino)-N-(2-phenoxyphenyl)acetamide?
The InChIKey is JMNPOTJLTHQXDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c22-17(12-19-18(23)20-13-10-11-13)21-15-8-4-5-9-16(15)24-14-6-2-1-3-7-14/h1-9,13H,10-12H2,(H,21,22)(H2,19,20,23).
What are the key properties of 2-(cyclopropylcarbamoylamino)-N-(2-phenoxyphenyl)acetamide?
2-(cyclopropylcarbamoylamino)-N-(2-phenoxyphenyl)acetamide has a molecular weight of 325.37 g/mol, XLogP of 2.88, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylcarbamoylamino)-N-(2-phenoxyphenyl)acetamide is sourced from PubChem (CID 113000974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).