N-[1-[(3-methylbenzotriazol-4-yl)amino]-1-oxo-3-phenylpropan-2-yl]benzamide

C23H21N5O2 — CID 118296501

IUPACN-[1-[(3-methylbenzotriazol-4-yl)amino]-1-oxo-3-phenylpropan-2-yl]benzamide
SMILESCn1nnc2cccc(NC(=O)C(Cc3ccccc3)NC(=O)c3ccccc3)c21
InChIInChI=1S/C23H21N5O2/c1-28-21-18(13-8-14-19(21)26-27-28)24-23(30)20(15-16-9-4-2-5-10-16)25-22(29)17-11-6-3-7-12-17/h2-14,20H,15H2,1H3,(H,24,30)(H,25,29)
InChIKeyPSTJZOYYXVVGMT-UHFFFAOYSA-N
MW399.45 g/mol
LogP2.95
Rot. Bonds6

About N-[1-[(3-methylbenzotriazol-4-yl)amino]-1-oxo-3-phenylpropan-2-yl]benzamide

N-[1-[(3-methylbenzotriazol-4-yl)amino]-1-oxo-3-phenylpropan-2-yl]benzamide (PubChem CID 118296501) has the molecular formula C23H21N5O2 and a molecular weight of 399.45 g/mol. Its IUPAC name is N-[1-[(3-methylbenzotriazol-4-yl)amino]-1-oxo-3-phenylpropan-2-yl]benzamide.

Molecular Properties

Compound NameN-[1-[(3-methylbenzotriazol-4-yl)amino]-1-oxo-3-phenylpropan-2-yl]benzamide
PubChem CID118296501
Molecular FormulaC23H21N5O2
Molecular Weight399.45 g/mol
Exact Mass399.17
IUPAC NameN-[1-[(3-methylbenzotriazol-4-yl)amino]-1-oxo-3-phenylpropan-2-yl]benzamide
SMILESCn1nnc2cccc(NC(=O)C(Cc3ccccc3)NC(=O)c3ccccc3)c21
InChIInChI=1S/C23H21N5O2/c1-28-21-18(13-8-14-19(21)26-27-28)24-23(30)20(15-16-9-4-2-5-10-16)25-22(29)17-11-6-3-7-12-17/h2-14,20H,15H2,1H3,(H,24,30)(H,25,29)
InChIKeyPSTJZOYYXVVGMT-UHFFFAOYSA-N
XLogP2.95
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 3872811
N-[1-[2-(fluoromethoxy)anilino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 118296459
3-[(2-benzamido-3-phenylpropanoyl)amino]butanoic acid
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N-[3-(4-hydroxyphenyl)-1-oxo-1-(5,6,7,8-tetrahydronaphthalen-1-ylamino)propan-2-yl]benzamide
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N-[(2R)-1-oxo-1-(pentan-3-ylamino)-3-phenylpropan-2-yl]benzamide
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N-[1-(2,4-dichloroanilino)-1-oxo-3-phenylpropan-2-yl]benzamide
CID 42725017
N-[1-[(1-methylpiperidin-4-yl)amino]-1-oxo-3-phenylpropan-2-yl]benzamide
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N-[(2S)-1-amino-3-phenyl-1-sulfanylidenepropan-2-yl]benzamide
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N-[(2R)-1-amino-3-phenyl-1-sulfanylidenepropan-2-yl]benzamide
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N-[(2R)-1-oxo-3-phenyl-1-[[5-(propan-2-ylsulfamoyl)naphthalen-1-yl]amino]propan-2-yl]benzamide
CID 27209357
N-[1-(1H-benzimidazol-4-ylamino)-1-oxo-3-phenylpropan-2-yl]benzamide;N-[1-(1,3-benzothiazol-4-ylamino)-1-oxo-3-phenylpropan-2-yl]benzamide;N-[1-(1,3-benzothiazol-7-ylamino)-1-oxo-3-phenylpropan-2-yl]benzamide;N-[1-(2H-benzotriazol-4-ylamino)-1-oxo-3-phenylpropan-2-yl]benzamide;N-[1-[(3-methylbenzimidazol-4-yl)amino]-1-oxo-3-phenylpropan-2-yl]benzamide;N-[1-[(3-methylbenzotriazol-4-yl)amino]-1-oxo-3-phenylpropan-2-yl]benzamide;N-[1-[(1-methylindazol-4-yl)amino]-1-oxo-3-phenylpropan-2-yl]benzamide;N-[1-[(1-methylindol-7-yl)amino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 161222754
N-[(2R)-1-oxo-3-phenyl-1-(phenylmethoxyamino)propan-2-yl]benzamide
CID 9227321

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-methylbenzotriazol-4-yl)amino]-1-oxo-3-phenylpropan-2-yl]benzamide?
The IUPAC name of N-[1-[(3-methylbenzotriazol-4-yl)amino]-1-oxo-3-phenylpropan-2-yl]benzamide (CID 118296501) is N-[1-[(3-methylbenzotriazol-4-yl)amino]-1-oxo-3-phenylpropan-2-yl]benzamide.
What is the SMILES notation for N-[1-[(3-methylbenzotriazol-4-yl)amino]-1-oxo-3-phenylpropan-2-yl]benzamide?
The canonical SMILES for N-[1-[(3-methylbenzotriazol-4-yl)amino]-1-oxo-3-phenylpropan-2-yl]benzamide is Cn1nnc2cccc(NC(=O)C(Cc3ccccc3)NC(=O)c3ccccc3)c21.
What is the InChIKey of N-[1-[(3-methylbenzotriazol-4-yl)amino]-1-oxo-3-phenylpropan-2-yl]benzamide?
The InChIKey is PSTJZOYYXVVGMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O2/c1-28-21-18(13-8-14-19(21)26-27-28)24-23(30)20(15-16-9-4-2-5-10-16)25-22(29)17-11-6-3-7-12-17/h2-14,20H,15H2,1H3,(H,24,30)(H,25,29).
What are the key properties of N-[1-[(3-methylbenzotriazol-4-yl)amino]-1-oxo-3-phenylpropan-2-yl]benzamide?
N-[1-[(3-methylbenzotriazol-4-yl)amino]-1-oxo-3-phenylpropan-2-yl]benzamide has a molecular weight of 399.45 g/mol, XLogP of 2.95, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-methylbenzotriazol-4-yl)amino]-1-oxo-3-phenylpropan-2-yl]benzamide is sourced from PubChem (CID 118296501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).