N-(1-amino-3-methyl-1-oxopentan-2-yl)-3-phenoxybenzamide

C19H22N2O3 — CID 78773277

IUPACN-(1-amino-3-methyl-1-oxopentan-2-yl)-3-phenoxybenzamide
SMILESCCC(C)C(NC(=O)c1cccc(Oc2ccccc2)c1)C(N)=O
InChIInChI=1S/C19H22N2O3/c1-3-13(2)17(18(20)22)21-19(23)14-8-7-11-16(12-14)24-15-9-5-4-6-10-15/h4-13,17H,3H2,1-2H3,(H2,20,22)(H,21,23)
InChIKeySWFGGSGFGRPMAH-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.11
Rot. Bonds7

About N-(1-amino-3-methyl-1-oxopentan-2-yl)-3-phenoxybenzamide

N-(1-amino-3-methyl-1-oxopentan-2-yl)-3-phenoxybenzamide (PubChem CID 78773277) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-(1-amino-3-methyl-1-oxopentan-2-yl)-3-phenoxybenzamide.

Molecular Properties

Compound NameN-(1-amino-3-methyl-1-oxopentan-2-yl)-3-phenoxybenzamide
PubChem CID78773277
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC NameN-(1-amino-3-methyl-1-oxopentan-2-yl)-3-phenoxybenzamide
SMILESCCC(C)C(NC(=O)c1cccc(Oc2ccccc2)c1)C(N)=O
InChIInChI=1S/C19H22N2O3/c1-3-13(2)17(18(20)22)21-19(23)14-8-7-11-16(12-14)24-15-9-5-4-6-10-15/h4-13,17H,3H2,1-2H3,(H2,20,22)(H,21,23)
InChIKeySWFGGSGFGRPMAH-UHFFFAOYSA-N
XLogP3.11
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(1-amino-3-methyl-1-oxopentan-2-yl)-3-phenoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-pentan-3-yl-3-phenoxybenzamide
CID 2442055
2-[(3-carbamoylbenzoyl)amino]-3-methylpentanoic acid
CID 60858023
N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]-3-phenoxybenzamide;methane
CID 157186209
N-[(2R,3R)-3-methyl-1-oxo-1-[2-[(3-phenoxyphenyl)methylidene]hydrazinyl]pentan-2-yl]benzamide
CID 129439276
methyl (2S)-3-hydroxy-2-[(3-phenoxybenzoyl)amino]propanoate
CID 9277490
N-(1-amino-3-methyl-1-oxopentan-2-yl)-3-(propan-2-ylcarbamoylamino)benzamide
CID 86983303
methyl (2S,3S)-2-benzamido-3-methylpentanoate
CID 13148833
(2S,3S)-2-[[3-(2-methoxy-2-oxoethoxy)benzoyl]amino]-3-methylpentanoic acid
CID 119194080
N-[3-(butan-2-ylamino)-3-oxopropyl]-3-phenoxybenzamide
CID 60552825
3-methoxy-N-[3-methyl-1-oxo-1-(2-phenylethylamino)pentan-2-yl]benzamide
CID 42703712
3-ethoxy-N-[(2S,3R)-3-methylpentan-2-yl]benzamide
CID 91023998
2-[(3-fluorobenzoyl)amino]-3-methylpentanoic acid
CID 16774745

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-3-methyl-1-oxopentan-2-yl)-3-phenoxybenzamide?
The IUPAC name of N-(1-amino-3-methyl-1-oxopentan-2-yl)-3-phenoxybenzamide (CID 78773277) is N-(1-amino-3-methyl-1-oxopentan-2-yl)-3-phenoxybenzamide.
What is the SMILES notation for N-(1-amino-3-methyl-1-oxopentan-2-yl)-3-phenoxybenzamide?
The canonical SMILES for N-(1-amino-3-methyl-1-oxopentan-2-yl)-3-phenoxybenzamide is CCC(C)C(NC(=O)c1cccc(Oc2ccccc2)c1)C(N)=O.
What is the InChIKey of N-(1-amino-3-methyl-1-oxopentan-2-yl)-3-phenoxybenzamide?
The InChIKey is SWFGGSGFGRPMAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-3-13(2)17(18(20)22)21-19(23)14-8-7-11-16(12-14)24-15-9-5-4-6-10-15/h4-13,17H,3H2,1-2H3,(H2,20,22)(H,21,23).
What are the key properties of N-(1-amino-3-methyl-1-oxopentan-2-yl)-3-phenoxybenzamide?
N-(1-amino-3-methyl-1-oxopentan-2-yl)-3-phenoxybenzamide has a molecular weight of 326.40 g/mol, XLogP of 3.11, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-3-methyl-1-oxopentan-2-yl)-3-phenoxybenzamide is sourced from PubChem (CID 78773277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).