N-(1-amino-1-oxo-3-phenylpropan-2-yl)-4-(quinolin-8-yloxymethyl)benzamide

C26H23N3O3 — CID 5000225

IUPACN-(1-amino-1-oxo-3-phenylpropan-2-yl)-4-(quinolin-8-yloxymethyl)benzamide
SMILESNC(=O)C(Cc1ccccc1)NC(=O)c1ccc(COc2cccc3cccnc23)cc1
InChIInChI=1S/C26H23N3O3/c27-25(30)22(16-18-6-2-1-3-7-18)29-26(31)21-13-11-19(12-14-21)17-32-23-10-4-8-20-9-5-15-28-24(20)23/h1-15,22H,16-17H2,(H2,27,30)(H,29,31)
InChIKeyZHFQSSXNVKFVJE-UHFFFAOYSA-N
MW425.49 g/mol
LogP3.64
Rot. Bonds8

About N-(1-amino-1-oxo-3-phenylpropan-2-yl)-4-(quinolin-8-yloxymethyl)benzamide

N-(1-amino-1-oxo-3-phenylpropan-2-yl)-4-(quinolin-8-yloxymethyl)benzamide (PubChem CID 5000225) has the molecular formula C26H23N3O3 and a molecular weight of 425.49 g/mol. Its IUPAC name is N-(1-amino-1-oxo-3-phenylpropan-2-yl)-4-(quinolin-8-yloxymethyl)benzamide.

Molecular Properties

Compound NameN-(1-amino-1-oxo-3-phenylpropan-2-yl)-4-(quinolin-8-yloxymethyl)benzamide
PubChem CID5000225
Molecular FormulaC26H23N3O3
Molecular Weight425.49 g/mol
Exact Mass425.17
IUPAC NameN-(1-amino-1-oxo-3-phenylpropan-2-yl)-4-(quinolin-8-yloxymethyl)benzamide
SMILESNC(=O)C(Cc1ccccc1)NC(=O)c1ccc(COc2cccc3cccnc23)cc1
InChIInChI=1S/C26H23N3O3/c27-25(30)22(16-18-6-2-1-3-7-18)29-26(31)21-13-11-19(12-14-21)17-32-23-10-4-8-20-9-5-15-28-24(20)23/h1-15,22H,16-17H2,(H2,27,30)(H,29,31)
InChIKeyZHFQSSXNVKFVJE-UHFFFAOYSA-N
XLogP3.64
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-3-(4-phenylmethoxyphenyl)-2-[[4-(2-quinolin-8-yloxyethoxy)benzoyl]amino]propanoic acid
CID 66912848
quinolin-8-yl 3-phenyl-2-[(2-phenylacetyl)amino]propanoate
CID 155665107
1-N,4-N-bis[1-amino-1-oxo-3-[4-(2-phenylethoxy)phenyl]propan-2-yl]benzene-1,4-dicarboxamide
CID 102065474
N-(1-amino-1-oxo-3-phenylpropan-2-yl)-4-pyridin-3-yloxybenzamide
CID 49083866
4-(quinolin-8-yloxymethyl)benzenecarboximidamide
CID 28825198
5-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]carbamoyl]-8-hydroxy-1,6-naphthyridine-7-carboxylic acid
CID 86280627
4-[(5-chloroquinolin-8-yl)oxymethyl]-N-(1,6-diamino-1-oxohexan-2-yl)benzamide
CID 3680467
1-N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-4-N-[1-amino-1-oxo-3-[4-(2-phenylethoxy)phenyl]propan-2-yl]benzene-1,4-dicarboxamide
CID 102065478
methyl 5-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]carbamoyl]-8-hydroxy-1,6-naphthyridine-7-carboxylate
CID 86280626
N'-(2-quinolin-8-yloxyacetyl)benzohydrazide
CID 2981693
4-[4-[(1-amino-1-oxo-3-phenylpropan-2-yl)carbamoyl]phenoxy]benzamide
CID 56548245
N'-[1-(5-methylfuran-2-yl)ethenyl]-4-(quinolin-8-yloxymethyl)benzohydrazide
CID 2340885

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-1-oxo-3-phenylpropan-2-yl)-4-(quinolin-8-yloxymethyl)benzamide?
The IUPAC name of N-(1-amino-1-oxo-3-phenylpropan-2-yl)-4-(quinolin-8-yloxymethyl)benzamide (CID 5000225) is N-(1-amino-1-oxo-3-phenylpropan-2-yl)-4-(quinolin-8-yloxymethyl)benzamide.
What is the SMILES notation for N-(1-amino-1-oxo-3-phenylpropan-2-yl)-4-(quinolin-8-yloxymethyl)benzamide?
The canonical SMILES for N-(1-amino-1-oxo-3-phenylpropan-2-yl)-4-(quinolin-8-yloxymethyl)benzamide is NC(=O)C(Cc1ccccc1)NC(=O)c1ccc(COc2cccc3cccnc23)cc1.
What is the InChIKey of N-(1-amino-1-oxo-3-phenylpropan-2-yl)-4-(quinolin-8-yloxymethyl)benzamide?
The InChIKey is ZHFQSSXNVKFVJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O3/c27-25(30)22(16-18-6-2-1-3-7-18)29-26(31)21-13-11-19(12-14-21)17-32-23-10-4-8-20-9-5-15-28-24(20)23/h1-15,22H,16-17H2,(H2,27,30)(H,29,31).
What are the key properties of N-(1-amino-1-oxo-3-phenylpropan-2-yl)-4-(quinolin-8-yloxymethyl)benzamide?
N-(1-amino-1-oxo-3-phenylpropan-2-yl)-4-(quinolin-8-yloxymethyl)benzamide has a molecular weight of 425.49 g/mol, XLogP of 3.64, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-1-oxo-3-phenylpropan-2-yl)-4-(quinolin-8-yloxymethyl)benzamide is sourced from PubChem (CID 5000225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).