N-[(Z)-2-amino-3-[amino-[4-(hydroxyamino)-1-naphthalen-2-yl-4-oxobutan-2-yl]amino]prop-2-enyl]-4-hydroxybenzamide

C24H27N5O4 — CID 154647429

IUPACN-[(Z)-2-amino-3-[amino-[4-(hydroxyamino)-1-naphthalen-2-yl-4-oxobutan-2-yl]amino]prop-2-enyl]-4-hydroxybenzamide
SMILESN/C(=C\N(N)C(CC(=O)NO)Cc1ccc2ccccc2c1)CNC(=O)c1ccc(O)cc1
InChIInChI=1S/C24H27N5O4/c25-20(14-27-24(32)18-7-9-22(30)10-8-18)15-29(26)21(13-23(31)28-33)12-16-5-6-17-3-1-2-4-19(17)11-16/h1-11,15,21,30,33H,12-14,25-26H2,(H,27,32)(H,28,31)/b20-15-
InChIKeyLAXNNUXSMSTBBK-HKWRFOASSA-N
MW449.51 g/mol
LogP1.76
Rot. Bonds9

About N-[(Z)-2-amino-3-[amino-[4-(hydroxyamino)-1-naphthalen-2-yl-4-oxobutan-2-yl]amino]prop-2-enyl]-4-hydroxybenzamide

N-[(Z)-2-amino-3-[amino-[4-(hydroxyamino)-1-naphthalen-2-yl-4-oxobutan-2-yl]amino]prop-2-enyl]-4-hydroxybenzamide (PubChem CID 154647429) has the molecular formula C24H27N5O4 and a molecular weight of 449.51 g/mol. Its IUPAC name is N-[(Z)-2-amino-3-[amino-[4-(hydroxyamino)-1-naphthalen-2-yl-4-oxobutan-2-yl]amino]prop-2-enyl]-4-hydroxybenzamide.

Molecular Properties

Compound NameN-[(Z)-2-amino-3-[amino-[4-(hydroxyamino)-1-naphthalen-2-yl-4-oxobutan-2-yl]amino]prop-2-enyl]-4-hydroxybenzamide
PubChem CID154647429
Molecular FormulaC24H27N5O4
Molecular Weight449.51 g/mol
Exact Mass449.21
IUPAC NameN-[(Z)-2-amino-3-[amino-[4-(hydroxyamino)-1-naphthalen-2-yl-4-oxobutan-2-yl]amino]prop-2-enyl]-4-hydroxybenzamide
SMILESN/C(=C\N(N)C(CC(=O)NO)Cc1ccc2ccccc2c1)CNC(=O)c1ccc(O)cc1
InChIInChI=1S/C24H27N5O4/c25-20(14-27-24(32)18-7-9-22(30)10-8-18)15-29(26)21(13-23(31)28-33)12-16-5-6-17-3-1-2-4-19(17)11-16/h1-11,15,21,30,33H,12-14,25-26H2,(H,27,32)(H,28,31)/b20-15-
InChIKeyLAXNNUXSMSTBBK-HKWRFOASSA-N
XLogP1.76
TPSA153.94 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.51
LogP ≤ 51.76
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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

N-[(Z)-2-amino-3-[amino-[4-(hydroxyamino)-1-naphthalen-2-yl-4-oxobutan-2-yl]amino]prop-2-enyl]-4,4-difluorocyclohexane-1-carboxamide
CID 154647531
N-[(Z)-3-amino-4-[amino-[4-(hydroxyamino)-1-naphthalen-2-yl-4-oxobutan-2-yl]amino]-2-methylbut-3-en-2-yl]-3,4-difluorobenzamide
CID 154647411
N-[(Z)-3-amino-4-[amino-[4-(hydroxyamino)-1-naphthalen-2-yl-4-oxobutan-2-yl]amino]-1-(4-phenylmethoxyphenyl)but-3-en-2-yl]-3,4-difluorobenzamide
CID 154647483
N-[(Z)-2-amino-3-[amino-(1-amino-3-phenylpropan-2-yl)amino]prop-2-enyl]-4-methylbenzamide
CID 154647557
N-[2-(4-hydroxyphenyl)ethyl]naphthalene-2-carboxamide
CID 6624490
N-[[1-[(2R)-4-(hydroxyamino)-1-naphthalen-2-yl-4-oxobutan-2-yl]triazol-4-yl]methyl]pyridine-4-carboxamide
CID 155008888
N-(2-amino-2-oxoethyl)-2-naphthalen-2-ylacetamide
CID 9296472
2-[[2-[(4-hydroxybenzoyl)amino]acetyl]amino]-3-phenylpropanoic acid
CID 6914726
(2S)-2-[[2-[(4-hydroxybenzoyl)amino]acetyl]amino]-3-(4-hydroxyphenyl)propanoic acid
CID 54193828
N-(naphthalen-2-ylmethyl)benzamide
CID 47161333
4-amino-N-[1-[N-(hydroxycarbamoyl)anilino]-3-naphthalen-2-yl-1-oxopropan-2-yl]benzamide
CID 91129100
3-[5-(aminomethyl)triazol-1-yl]-N-hydroxy-4-naphthalen-2-ylbutanamide
CID 154997008

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-2-amino-3-[amino-[4-(hydroxyamino)-1-naphthalen-2-yl-4-oxobutan-2-yl]amino]prop-2-enyl]-4-hydroxybenzamide?
The IUPAC name of N-[(Z)-2-amino-3-[amino-[4-(hydroxyamino)-1-naphthalen-2-yl-4-oxobutan-2-yl]amino]prop-2-enyl]-4-hydroxybenzamide (CID 154647429) is N-[(Z)-2-amino-3-[amino-[4-(hydroxyamino)-1-naphthalen-2-yl-4-oxobutan-2-yl]amino]prop-2-enyl]-4-hydroxybenzamide.
What is the SMILES notation for N-[(Z)-2-amino-3-[amino-[4-(hydroxyamino)-1-naphthalen-2-yl-4-oxobutan-2-yl]amino]prop-2-enyl]-4-hydroxybenzamide?
The canonical SMILES for N-[(Z)-2-amino-3-[amino-[4-(hydroxyamino)-1-naphthalen-2-yl-4-oxobutan-2-yl]amino]prop-2-enyl]-4-hydroxybenzamide is N/C(=C\N(N)C(CC(=O)NO)Cc1ccc2ccccc2c1)CNC(=O)c1ccc(O)cc1.
What is the InChIKey of N-[(Z)-2-amino-3-[amino-[4-(hydroxyamino)-1-naphthalen-2-yl-4-oxobutan-2-yl]amino]prop-2-enyl]-4-hydroxybenzamide?
The InChIKey is LAXNNUXSMSTBBK-HKWRFOASSA-N. The full InChI is InChI=1S/C24H27N5O4/c25-20(14-27-24(32)18-7-9-22(30)10-8-18)15-29(26)21(13-23(31)28-33)12-16-5-6-17-3-1-2-4-19(17)11-16/h1-11,15,21,30,33H,12-14,25-26H2,(H,27,32)(H,28,31)/b20-15-.
What are the key properties of N-[(Z)-2-amino-3-[amino-[4-(hydroxyamino)-1-naphthalen-2-yl-4-oxobutan-2-yl]amino]prop-2-enyl]-4-hydroxybenzamide?
N-[(Z)-2-amino-3-[amino-[4-(hydroxyamino)-1-naphthalen-2-yl-4-oxobutan-2-yl]amino]prop-2-enyl]-4-hydroxybenzamide has a molecular weight of 449.51 g/mol, XLogP of 1.76, 9 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-2-amino-3-[amino-[4-(hydroxyamino)-1-naphthalen-2-yl-4-oxobutan-2-yl]amino]prop-2-enyl]-4-hydroxybenzamide is sourced from PubChem (CID 154647429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).