N-(2-phenoxyphenyl)-3-(propan-2-ylamino)propanamide

C18H22N2O2 — CID 109011722

IUPACN-(2-phenoxyphenyl)-3-(propan-2-ylamino)propanamide
SMILESCC(C)NCCC(=O)Nc1ccccc1Oc1ccccc1
InChIInChI=1S/C18H22N2O2/c1-14(2)19-13-12-18(21)20-16-10-6-7-11-17(16)22-15-8-4-3-5-9-15/h3-11,14,19H,12-13H2,1-2H3,(H,20,21)
InChIKeyTYPJGBXHVJZEKB-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.81
Rot. Bonds7

About N-(2-phenoxyphenyl)-3-(propan-2-ylamino)propanamide

N-(2-phenoxyphenyl)-3-(propan-2-ylamino)propanamide (PubChem CID 109011722) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is N-(2-phenoxyphenyl)-3-(propan-2-ylamino)propanamide.

Molecular Properties

Compound NameN-(2-phenoxyphenyl)-3-(propan-2-ylamino)propanamide
PubChem CID109011722
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC NameN-(2-phenoxyphenyl)-3-(propan-2-ylamino)propanamide
SMILESCC(C)NCCC(=O)Nc1ccccc1Oc1ccccc1
InChIInChI=1S/C18H22N2O2/c1-14(2)19-13-12-18(21)20-16-10-6-7-11-17(16)22-15-8-4-3-5-9-15/h3-11,14,19H,12-13H2,1-2H3,(H,20,21)
InChIKeyTYPJGBXHVJZEKB-UHFFFAOYSA-N
XLogP3.81
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-methylanilino)-N-(2-phenoxyphenyl)propanamide
CID 109034509
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N-(2-phenoxyphenyl)-2-phenylacetamide
CID 1121260
N-(2-methoxyphenyl)-2-(2-phenoxyanilino)acetamide
CID 7922855
3-acetamido-N-[2-(4-methylphenoxy)phenyl]propanamide
CID 38505087
N-(2-phenoxyphenyl)-3-(pyridin-2-ylmethylamino)propanamide
CID 109023444
N-(2-phenoxyphenyl)-3-(pyridin-4-ylmethylamino)propanamide
CID 109024062
3-[(4-chlorophenyl)methylamino]-N-(2-phenoxyphenyl)propanamide
CID 109021922
4-(propan-2-ylamino)-N-(2-propoxyphenyl)butanamide
CID 60851317
N-[3-oxo-3-(2-phenoxyanilino)propyl]naphthalene-1-carboxamide
CID 169183116
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CID 52730821

Frequently Asked Questions

What is the IUPAC name of N-(2-phenoxyphenyl)-3-(propan-2-ylamino)propanamide?
The IUPAC name of N-(2-phenoxyphenyl)-3-(propan-2-ylamino)propanamide (CID 109011722) is N-(2-phenoxyphenyl)-3-(propan-2-ylamino)propanamide.
What is the SMILES notation for N-(2-phenoxyphenyl)-3-(propan-2-ylamino)propanamide?
The canonical SMILES for N-(2-phenoxyphenyl)-3-(propan-2-ylamino)propanamide is CC(C)NCCC(=O)Nc1ccccc1Oc1ccccc1.
What is the InChIKey of N-(2-phenoxyphenyl)-3-(propan-2-ylamino)propanamide?
The InChIKey is TYPJGBXHVJZEKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-14(2)19-13-12-18(21)20-16-10-6-7-11-17(16)22-15-8-4-3-5-9-15/h3-11,14,19H,12-13H2,1-2H3,(H,20,21).
What are the key properties of N-(2-phenoxyphenyl)-3-(propan-2-ylamino)propanamide?
N-(2-phenoxyphenyl)-3-(propan-2-ylamino)propanamide has a molecular weight of 298.39 g/mol, XLogP of 3.81, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenoxyphenyl)-3-(propan-2-ylamino)propanamide is sourced from PubChem (CID 109011722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).