3-(2-amino-2-oxoethoxy)-N-(3-propan-2-ylphenyl)benzamide

C18H20N2O3 — CID 35704432

IUPAC3-(2-amino-2-oxoethoxy)-N-(3-propan-2-ylphenyl)benzamide
SMILESCC(C)c1cccc(NC(=O)c2cccc(OCC(N)=O)c2)c1
InChIInChI=1S/C18H20N2O3/c1-12(2)13-5-3-7-15(9-13)20-18(22)14-6-4-8-16(10-14)23-11-17(19)21/h3-10,12H,11H2,1-2H3,(H2,19,21)(H,20,22)
InChIKeyNBVJHBCXTOLBES-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.93
Rot. Bonds6

About 3-(2-amino-2-oxoethoxy)-N-(3-propan-2-ylphenyl)benzamide

3-(2-amino-2-oxoethoxy)-N-(3-propan-2-ylphenyl)benzamide (PubChem CID 35704432) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is 3-(2-amino-2-oxoethoxy)-N-(3-propan-2-ylphenyl)benzamide.

Molecular Properties

Compound Name3-(2-amino-2-oxoethoxy)-N-(3-propan-2-ylphenyl)benzamide
PubChem CID35704432
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name3-(2-amino-2-oxoethoxy)-N-(3-propan-2-ylphenyl)benzamide
SMILESCC(C)c1cccc(NC(=O)c2cccc(OCC(N)=O)c2)c1
InChIInChI=1S/C18H20N2O3/c1-12(2)13-5-3-7-15(9-13)20-18(22)14-6-4-8-16(10-14)23-11-17(19)21/h3-10,12H,11H2,1-2H3,(H2,19,21)(H,20,22)
InChIKeyNBVJHBCXTOLBES-UHFFFAOYSA-N
XLogP2.93
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethoxy-N-[3-[(1S)-1-hydroxyethyl]phenyl]benzamide
CID 100803554
3,5-dimethoxy-N-(3-propan-2-ylphenyl)benzamide
CID 24636290
2-(3-aminophenoxy)-N-(3-propan-2-ylphenyl)acetamide
CID 61035869
N-(3-acetylphenyl)-2-(3-propan-2-ylphenoxy)acetamide
CID 19175983
N-[3-(carbamoylamino)phenyl]-3-[2-(dimethylamino)-2-oxoethoxy]benzamide
CID 55823894
N-(3-butan-2-ylphenyl)-3-methoxybenzamide
CID 139481676
N-[3-(2-amino-2-oxoethoxy)phenyl]-3-oxobutanamide
CID 61251264
3-[(3-ethoxybenzoyl)amino]-N-propan-2-ylbenzamide
CID 17197485
3-(2-methylpropoxy)-N-[3-[(2-phenoxyacetyl)amino]phenyl]benzamide
CID 17231448
N-[3-(2-phenoxyethoxy)phenyl]-3-propan-2-yloxybenzamide
CID 17142503
2-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]-3-methylbutanamide;hydrochloride
CID 119277909
N-(3-butan-2-yloxyphenyl)-3-(2-methylprop-2-enoxy)benzamide
CID 17161663

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-2-oxoethoxy)-N-(3-propan-2-ylphenyl)benzamide?
The IUPAC name of 3-(2-amino-2-oxoethoxy)-N-(3-propan-2-ylphenyl)benzamide (CID 35704432) is 3-(2-amino-2-oxoethoxy)-N-(3-propan-2-ylphenyl)benzamide.
What is the SMILES notation for 3-(2-amino-2-oxoethoxy)-N-(3-propan-2-ylphenyl)benzamide?
The canonical SMILES for 3-(2-amino-2-oxoethoxy)-N-(3-propan-2-ylphenyl)benzamide is CC(C)c1cccc(NC(=O)c2cccc(OCC(N)=O)c2)c1.
What is the InChIKey of 3-(2-amino-2-oxoethoxy)-N-(3-propan-2-ylphenyl)benzamide?
The InChIKey is NBVJHBCXTOLBES-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-12(2)13-5-3-7-15(9-13)20-18(22)14-6-4-8-16(10-14)23-11-17(19)21/h3-10,12H,11H2,1-2H3,(H2,19,21)(H,20,22).
What are the key properties of 3-(2-amino-2-oxoethoxy)-N-(3-propan-2-ylphenyl)benzamide?
3-(2-amino-2-oxoethoxy)-N-(3-propan-2-ylphenyl)benzamide has a molecular weight of 312.37 g/mol, XLogP of 2.93, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-2-oxoethoxy)-N-(3-propan-2-ylphenyl)benzamide is sourced from PubChem (CID 35704432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).