2-(2-phenoxypropanoylamino)-N-propan-2-ylbenzamide

C19H22N2O3 — CID 2971990

IUPAC2-(2-phenoxypropanoylamino)-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccccc1NC(=O)C(C)Oc1ccccc1
InChIInChI=1S/C19H22N2O3/c1-13(2)20-19(23)16-11-7-8-12-17(16)21-18(22)14(3)24-15-9-5-4-6-10-15/h4-14H,1-3H3,(H,20,23)(H,21,22)
InChIKeyZULVNACQVCXULQ-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.23
Rot. Bonds6

About 2-(2-phenoxypropanoylamino)-N-propan-2-ylbenzamide

2-(2-phenoxypropanoylamino)-N-propan-2-ylbenzamide (PubChem CID 2971990) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 2-(2-phenoxypropanoylamino)-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name2-(2-phenoxypropanoylamino)-N-propan-2-ylbenzamide
PubChem CID2971990
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name2-(2-phenoxypropanoylamino)-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccccc1NC(=O)C(C)Oc1ccccc1
InChIInChI=1S/C19H22N2O3/c1-13(2)20-19(23)16-11-7-8-12-17(16)21-18(22)14(3)24-15-9-5-4-6-10-15/h4-14H,1-3H3,(H,20,23)(H,21,22)
InChIKeyZULVNACQVCXULQ-UHFFFAOYSA-N
XLogP3.23
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-phenoxypropanoylamino)-N-propan-2-ylbenzamide?
The IUPAC name of 2-(2-phenoxypropanoylamino)-N-propan-2-ylbenzamide (CID 2971990) is 2-(2-phenoxypropanoylamino)-N-propan-2-ylbenzamide.
What is the SMILES notation for 2-(2-phenoxypropanoylamino)-N-propan-2-ylbenzamide?
The canonical SMILES for 2-(2-phenoxypropanoylamino)-N-propan-2-ylbenzamide is CC(C)NC(=O)c1ccccc1NC(=O)C(C)Oc1ccccc1.
What is the InChIKey of 2-(2-phenoxypropanoylamino)-N-propan-2-ylbenzamide?
The InChIKey is ZULVNACQVCXULQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-13(2)20-19(23)16-11-7-8-12-17(16)21-18(22)14(3)24-15-9-5-4-6-10-15/h4-14H,1-3H3,(H,20,23)(H,21,22).
What are the key properties of 2-(2-phenoxypropanoylamino)-N-propan-2-ylbenzamide?
2-(2-phenoxypropanoylamino)-N-propan-2-ylbenzamide has a molecular weight of 326.40 g/mol, XLogP of 3.23, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenoxypropanoylamino)-N-propan-2-ylbenzamide is sourced from PubChem (CID 2971990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).