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

C24H31F2N5O3 — CID 154647531

IUPACN-[(Z)-2-amino-3-[amino-[4-(hydroxyamino)-1-naphthalen-2-yl-4-oxobutan-2-yl]amino]prop-2-enyl]-4,4-difluorocyclohexane-1-carboxamide
SMILESN/C(=C\N(N)C(CC(=O)NO)Cc1ccc2ccccc2c1)CNC(=O)C1CCC(F)(F)CC1
InChIInChI=1S/C24H31F2N5O3/c25-24(26)9-7-18(8-10-24)23(33)29-14-20(27)15-31(28)21(13-22(32)30-34)12-16-5-6-17-3-1-2-4-19(17)11-16/h1-6,11,15,18,21,34H,7-10,12-14,27-28H2,(H,29,33)(H,30,32)/b20-15-
InChIKeyBSFFEQGFWWNOLZ-HKWRFOASSA-N
MW475.54 g/mol
LogP2.56
Rot. Bonds9

About 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

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 (PubChem CID 154647531) has the molecular formula C24H31F2N5O3 and a molecular weight of 475.54 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]-4,4-difluorocyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[(Z)-2-amino-3-[amino-[4-(hydroxyamino)-1-naphthalen-2-yl-4-oxobutan-2-yl]amino]prop-2-enyl]-4,4-difluorocyclohexane-1-carboxamide
PubChem CID154647531
Molecular FormulaC24H31F2N5O3
Molecular Weight475.54 g/mol
Exact Mass475.24
IUPAC NameN-[(Z)-2-amino-3-[amino-[4-(hydroxyamino)-1-naphthalen-2-yl-4-oxobutan-2-yl]amino]prop-2-enyl]-4,4-difluorocyclohexane-1-carboxamide
SMILESN/C(=C\N(N)C(CC(=O)NO)Cc1ccc2ccccc2c1)CNC(=O)C1CCC(F)(F)CC1
InChIInChI=1S/C24H31F2N5O3/c25-24(26)9-7-18(8-10-24)23(33)29-14-20(27)15-31(28)21(13-22(32)30-34)12-16-5-6-17-3-1-2-4-19(17)11-16/h1-6,11,15,18,21,34H,7-10,12-14,27-28H2,(H,29,33)(H,30,32)/b20-15-
InChIKeyBSFFEQGFWWNOLZ-HKWRFOASSA-N
XLogP2.56
TPSA133.71 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.54
LogP ≤ 52.56
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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-hydroxybenzamide
CID 154647429
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)-2-amino-3-[amino-[(2R)-4-(hydroxyamino)-4-oxo-1-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-2-yl]amino]prop-2-enyl]-3,4-difluoro-N-methylbenzamide
CID 155008837
N-[(2R)-3-hydroxy-1-naphthalen-2-ylbutan-2-yl]-4-(methylaminomethyl)cyclohexane-1-carboxamide
CID 177342310
2-(naphthalen-2-ylmethyl)-3-(thiane-4-carbonylamino)propanoic acid
CID 120527148
4-(aminomethyl)-N-[1-[(4-methylphenyl)methylamino]-3-naphthalen-2-yl-1-oxopropan-2-yl]cyclohexane-1-carboxamide
CID 176691240
3-[5-(aminomethyl)triazol-1-yl]-N-hydroxy-4-naphthalen-2-ylbutanamide
CID 154997008
N-[1-naphthalen-2-yl-3-[(2-naphthalen-2-ylacetyl)amino]propan-2-yl]piperidine-4-carboxamide
CID 21042068
2-[4-(aminomethyl)cyclohexyl]-N-(1-naphthalen-2-yl-3-oxobutan-2-yl)acetamide
CID 176691243
N'-hydroxy-N-[(2S)-1-(methylamino)-3-naphthalen-2-yl-1-oxopropan-2-yl]-2-(2-methylpropyl)butanediamide
CID 87854664
N-[1-(3,4-dihydroxyphenyl)propan-2-yl]-4,4-difluorocyclohexane-1-carboxamide
CID 86798519
N-(2-amino-2-oxoethyl)-2-naphthalen-2-ylacetamide
CID 9296472

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]-4,4-difluorocyclohexane-1-carboxamide?
The IUPAC name of N-[(Z)-2-amino-3-[amino-[4-(hydroxyamino)-1-naphthalen-2-yl-4-oxobutan-2-yl]amino]prop-2-enyl]-4,4-difluorocyclohexane-1-carboxamide (CID 154647531) is 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.
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]-4,4-difluorocyclohexane-1-carboxamide?
The canonical SMILES for N-[(Z)-2-amino-3-[amino-[4-(hydroxyamino)-1-naphthalen-2-yl-4-oxobutan-2-yl]amino]prop-2-enyl]-4,4-difluorocyclohexane-1-carboxamide is N/C(=C\N(N)C(CC(=O)NO)Cc1ccc2ccccc2c1)CNC(=O)C1CCC(F)(F)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]-4,4-difluorocyclohexane-1-carboxamide?
The InChIKey is BSFFEQGFWWNOLZ-HKWRFOASSA-N. The full InChI is InChI=1S/C24H31F2N5O3/c25-24(26)9-7-18(8-10-24)23(33)29-14-20(27)15-31(28)21(13-22(32)30-34)12-16-5-6-17-3-1-2-4-19(17)11-16/h1-6,11,15,18,21,34H,7-10,12-14,27-28H2,(H,29,33)(H,30,32)/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]-4,4-difluorocyclohexane-1-carboxamide?
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 has a molecular weight of 475.54 g/mol, XLogP of 2.56, 9 rotatable bonds, 5 hydrogen bond donors, and 6 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]-4,4-difluorocyclohexane-1-carboxamide is sourced from PubChem (CID 154647531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).