N-[4-methyl-2-[3-(oxazinan-2-yl)propanoylamino]phenyl]benzamide

C21H25N3O3 — CID 50965031

IUPACN-[4-methyl-2-[3-(oxazinan-2-yl)propanoylamino]phenyl]benzamide
SMILESCc1ccc(NC(=O)c2ccccc2)c(NC(=O)CCN2CCCCO2)c1
InChIInChI=1S/C21H25N3O3/c1-16-9-10-18(23-21(26)17-7-3-2-4-8-17)19(15-16)22-20(25)11-13-24-12-5-6-14-27-24/h2-4,7-10,15H,5-6,11-14H2,1H3,(H,22,25)(H,23,26)
InChIKeyKKZDLEUENYVKRF-UHFFFAOYSA-N
MW367.45 g/mol
LogP3.60
Rot. Bonds6

About N-[4-methyl-2-[3-(oxazinan-2-yl)propanoylamino]phenyl]benzamide

N-[4-methyl-2-[3-(oxazinan-2-yl)propanoylamino]phenyl]benzamide (PubChem CID 50965031) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is N-[4-methyl-2-[3-(oxazinan-2-yl)propanoylamino]phenyl]benzamide.

Molecular Properties

Compound NameN-[4-methyl-2-[3-(oxazinan-2-yl)propanoylamino]phenyl]benzamide
PubChem CID50965031
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC NameN-[4-methyl-2-[3-(oxazinan-2-yl)propanoylamino]phenyl]benzamide
SMILESCc1ccc(NC(=O)c2ccccc2)c(NC(=O)CCN2CCCCO2)c1
InChIInChI=1S/C21H25N3O3/c1-16-9-10-18(23-21(26)17-7-3-2-4-8-17)19(15-16)22-20(25)11-13-24-12-5-6-14-27-24/h2-4,7-10,15H,5-6,11-14H2,1H3,(H,22,25)(H,23,26)
InChIKeyKKZDLEUENYVKRF-UHFFFAOYSA-N
XLogP3.60
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 168521332
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3,4-bis[(4-methylbenzoyl)amino]benzoic acid
CID 1296278
(2S)-N-(2-benzamido-5-methylphenyl)piperidine-2-carboxamide
CID 131930794
N-(2-ethyl-4-methylphenyl)benzamide
CID 174323635
N-[2-[[(2R)-2-amino-3-hydroxypropanoyl]amino]-4-methylphenyl]benzamide
CID 46987181
3-methyl-N-[5-methyl-2-[(2-phenoxyacetyl)amino]phenyl]benzamide
CID 2204297
N-[2-methyl-3-[3-(oxolan-2-yl)propanoylamino]phenyl]benzamide
CID 87028458
N-(5-methyl-2-prop-1-en-2-ylphenyl)benzamide
CID 154709927
3-chloro-N-[2-(3-chloropropanoylamino)-4-methylphenyl]propanamide
CID 3509027
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CID 1360092

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-2-[3-(oxazinan-2-yl)propanoylamino]phenyl]benzamide?
The IUPAC name of N-[4-methyl-2-[3-(oxazinan-2-yl)propanoylamino]phenyl]benzamide (CID 50965031) is N-[4-methyl-2-[3-(oxazinan-2-yl)propanoylamino]phenyl]benzamide.
What is the SMILES notation for N-[4-methyl-2-[3-(oxazinan-2-yl)propanoylamino]phenyl]benzamide?
The canonical SMILES for N-[4-methyl-2-[3-(oxazinan-2-yl)propanoylamino]phenyl]benzamide is Cc1ccc(NC(=O)c2ccccc2)c(NC(=O)CCN2CCCCO2)c1.
What is the InChIKey of N-[4-methyl-2-[3-(oxazinan-2-yl)propanoylamino]phenyl]benzamide?
The InChIKey is KKZDLEUENYVKRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-16-9-10-18(23-21(26)17-7-3-2-4-8-17)19(15-16)22-20(25)11-13-24-12-5-6-14-27-24/h2-4,7-10,15H,5-6,11-14H2,1H3,(H,22,25)(H,23,26).
What are the key properties of N-[4-methyl-2-[3-(oxazinan-2-yl)propanoylamino]phenyl]benzamide?
N-[4-methyl-2-[3-(oxazinan-2-yl)propanoylamino]phenyl]benzamide has a molecular weight of 367.45 g/mol, XLogP of 3.60, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-2-[3-(oxazinan-2-yl)propanoylamino]phenyl]benzamide is sourced from PubChem (CID 50965031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).