4-amino-N-[1-[N-(hydroxycarbamoyl)anilino]-3-naphthalen-2-yl-1-oxopropan-2-yl]benzamide

C27H24N4O4 — CID 91129100

IUPAC4-amino-N-[1-[N-(hydroxycarbamoyl)anilino]-3-naphthalen-2-yl-1-oxopropan-2-yl]benzamide
SMILESNc1ccc(C(=O)NC(Cc2ccc3ccccc3c2)C(=O)N(C(=O)NO)c2ccccc2)cc1
InChIInChI=1S/C27H24N4O4/c28-22-14-12-20(13-15-22)25(32)29-24(17-18-10-11-19-6-4-5-7-21(19)16-18)26(33)31(27(34)30-35)23-8-2-1-3-9-23/h1-16,24,35H,17,28H2,(H,29,32)(H,30,34)
InChIKeyFHUPZVDPDSQVNY-UHFFFAOYSA-N
MW468.51 g/mol
LogP3.90
Rot. Bonds6

About 4-amino-N-[1-[N-(hydroxycarbamoyl)anilino]-3-naphthalen-2-yl-1-oxopropan-2-yl]benzamide

4-amino-N-[1-[N-(hydroxycarbamoyl)anilino]-3-naphthalen-2-yl-1-oxopropan-2-yl]benzamide (PubChem CID 91129100) has the molecular formula C27H24N4O4 and a molecular weight of 468.51 g/mol. Its IUPAC name is 4-amino-N-[1-[N-(hydroxycarbamoyl)anilino]-3-naphthalen-2-yl-1-oxopropan-2-yl]benzamide.

Molecular Properties

Compound Name4-amino-N-[1-[N-(hydroxycarbamoyl)anilino]-3-naphthalen-2-yl-1-oxopropan-2-yl]benzamide
PubChem CID91129100
Molecular FormulaC27H24N4O4
Molecular Weight468.51 g/mol
Exact Mass468.18
IUPAC Name4-amino-N-[1-[N-(hydroxycarbamoyl)anilino]-3-naphthalen-2-yl-1-oxopropan-2-yl]benzamide
SMILESNc1ccc(C(=O)NC(Cc2ccc3ccccc3c2)C(=O)N(C(=O)NO)c2ccccc2)cc1
InChIInChI=1S/C27H24N4O4/c28-22-14-12-20(13-15-22)25(32)29-24(17-18-10-11-19-6-4-5-7-21(19)16-18)26(33)31(27(34)30-35)23-8-2-1-3-9-23/h1-16,24,35H,17,28H2,(H,29,32)(H,30,34)
InChIKeyFHUPZVDPDSQVNY-UHFFFAOYSA-N
XLogP3.90
TPSA124.76 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.51
LogP ≤ 53.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-benzamido-3-naphthalen-2-ylpropanoic acid
CID 18652421
(2S)-2-[[(2R)-2-benzamido-3-naphthalen-2-ylpropanoyl]amino]propanoic acid
CID 71136157
4-acetamido-N-[1-[cyano(ethyl)amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]benzamide
CID 87927939
3-(aminomethyl)-N-[(2R)-1-[[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]-methylamino]-3-naphthalen-2-yl-1-oxopropan-2-yl]benzamide
CID 10791760
(2S)-2-[(4-aminobenzoyl)amino]-3-(4-hydroxyphenyl)propanoic acid
CID 12804970
3-naphthalen-2-yl-2-[(2-phenylacetyl)amino]propanoic acid
CID 139753355
N-[(2R)-1-[[(2S)-1-[[(2S)-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]benzamide
CID 56598017
(4-chloro-1-naphthalen-2-yl-3-oxobutan-2-yl)carbamic acid
CID 19032004
2-benzamido-3-(6-benzoyloxynaphthalen-2-yl)propanoic acid
CID 141449215
(2R)-3-(3-methylphenyl)-2-(naphthalene-2-carbonylamino)propanoic acid
CID 46884012
1-N,4-N-bis[(2S)-1-(4-methoxy-N-methylanilino)-1-oxo-3-phenylpropan-2-yl]benzene-1,4-dicarboxamide
CID 122647174
methyl 2-[[4-(2-naphthalen-2-ylethoxy)benzoyl]amino]-3-(4-phenylmethoxyphenyl)propanoate
CID 66912801

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[1-[N-(hydroxycarbamoyl)anilino]-3-naphthalen-2-yl-1-oxopropan-2-yl]benzamide?
The IUPAC name of 4-amino-N-[1-[N-(hydroxycarbamoyl)anilino]-3-naphthalen-2-yl-1-oxopropan-2-yl]benzamide (CID 91129100) is 4-amino-N-[1-[N-(hydroxycarbamoyl)anilino]-3-naphthalen-2-yl-1-oxopropan-2-yl]benzamide.
What is the SMILES notation for 4-amino-N-[1-[N-(hydroxycarbamoyl)anilino]-3-naphthalen-2-yl-1-oxopropan-2-yl]benzamide?
The canonical SMILES for 4-amino-N-[1-[N-(hydroxycarbamoyl)anilino]-3-naphthalen-2-yl-1-oxopropan-2-yl]benzamide is Nc1ccc(C(=O)NC(Cc2ccc3ccccc3c2)C(=O)N(C(=O)NO)c2ccccc2)cc1.
What is the InChIKey of 4-amino-N-[1-[N-(hydroxycarbamoyl)anilino]-3-naphthalen-2-yl-1-oxopropan-2-yl]benzamide?
The InChIKey is FHUPZVDPDSQVNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N4O4/c28-22-14-12-20(13-15-22)25(32)29-24(17-18-10-11-19-6-4-5-7-21(19)16-18)26(33)31(27(34)30-35)23-8-2-1-3-9-23/h1-16,24,35H,17,28H2,(H,29,32)(H,30,34).
What are the key properties of 4-amino-N-[1-[N-(hydroxycarbamoyl)anilino]-3-naphthalen-2-yl-1-oxopropan-2-yl]benzamide?
4-amino-N-[1-[N-(hydroxycarbamoyl)anilino]-3-naphthalen-2-yl-1-oxopropan-2-yl]benzamide has a molecular weight of 468.51 g/mol, XLogP of 3.90, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[1-[N-(hydroxycarbamoyl)anilino]-3-naphthalen-2-yl-1-oxopropan-2-yl]benzamide is sourced from PubChem (CID 91129100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).