N-[3-[1-[methyl-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]amino]ethyl]phenyl]benzamide

C23H26N4O3 — CID 46515509

IUPACN-[3-[1-[methyl-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]amino]ethyl]phenyl]benzamide
SMILESCc1cc(NC(=O)CCN(C)C(C)c2cccc(NC(=O)c3ccccc3)c2)no1
InChIInChI=1S/C23H26N4O3/c1-16-14-21(26-30-16)25-22(28)12-13-27(3)17(2)19-10-7-11-20(15-19)24-23(29)18-8-5-4-6-9-18/h4-11,14-15,17H,12-13H2,1-3H3,(H,24,29)(H,25,26,28)
InChIKeyPSWBCRSIELMIKH-UHFFFAOYSA-N
MW406.49 g/mol
LogP4.26
Rot. Bonds8

About N-[3-[1-[methyl-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]amino]ethyl]phenyl]benzamide

N-[3-[1-[methyl-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]amino]ethyl]phenyl]benzamide (PubChem CID 46515509) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is N-[3-[1-[methyl-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]amino]ethyl]phenyl]benzamide.

Molecular Properties

Compound NameN-[3-[1-[methyl-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]amino]ethyl]phenyl]benzamide
PubChem CID46515509
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC NameN-[3-[1-[methyl-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]amino]ethyl]phenyl]benzamide
SMILESCc1cc(NC(=O)CCN(C)C(C)c2cccc(NC(=O)c3ccccc3)c2)no1
InChIInChI=1S/C23H26N4O3/c1-16-14-21(26-30-16)25-22(28)12-13-27(3)17(2)19-10-7-11-20(15-19)24-23(29)18-8-5-4-6-9-18/h4-11,14-15,17H,12-13H2,1-3H3,(H,24,29)(H,25,26,28)
InChIKeyPSWBCRSIELMIKH-UHFFFAOYSA-N
XLogP4.26
TPSA87.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R)-1-(3-benzamidophenyl)ethyl]-N,3-dimethyl-1,2-oxazole-5-carboxamide
CID 31870185
N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 569560
N-[3-[1-[[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl]-methylamino]ethyl]phenyl]benzamide
CID 46688160
N-[3-[1-[[2-(1-cyclopropylethylamino)-2-oxoethyl]-methylamino]ethyl]phenyl]benzamide
CID 43065532
ethyl 4-[2-[1-(3-benzamidophenyl)ethyl-methylamino]acetyl]piperazine-1-carboxylate
CID 46688232
N-(3-acetylphenyl)-3-[acetyl(1-phenylethyl)amino]propanamide
CID 113119025
4-benzamido-N-[1-(3-benzamidophenyl)ethyl]-N-methylbenzamide
CID 46537045
2-methyl-3-[methyl-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]amino]propanoic acid
CID 55007447
2-[methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]-N-phenylacetamide
CID 51282195
N-(3-benzamidophenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 43911458
N-[2-[[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 110671903
N-[4-[methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]-4-oxobutan-2-yl]benzamide
CID 51271024

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[methyl-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]amino]ethyl]phenyl]benzamide?
The IUPAC name of N-[3-[1-[methyl-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]amino]ethyl]phenyl]benzamide (CID 46515509) is N-[3-[1-[methyl-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]amino]ethyl]phenyl]benzamide.
What is the SMILES notation for N-[3-[1-[methyl-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]amino]ethyl]phenyl]benzamide?
The canonical SMILES for N-[3-[1-[methyl-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]amino]ethyl]phenyl]benzamide is Cc1cc(NC(=O)CCN(C)C(C)c2cccc(NC(=O)c3ccccc3)c2)no1.
What is the InChIKey of N-[3-[1-[methyl-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]amino]ethyl]phenyl]benzamide?
The InChIKey is PSWBCRSIELMIKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3/c1-16-14-21(26-30-16)25-22(28)12-13-27(3)17(2)19-10-7-11-20(15-19)24-23(29)18-8-5-4-6-9-18/h4-11,14-15,17H,12-13H2,1-3H3,(H,24,29)(H,25,26,28).
What are the key properties of N-[3-[1-[methyl-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]amino]ethyl]phenyl]benzamide?
N-[3-[1-[methyl-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]amino]ethyl]phenyl]benzamide has a molecular weight of 406.49 g/mol, XLogP of 4.26, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-[methyl-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]amino]ethyl]phenyl]benzamide is sourced from PubChem (CID 46515509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).