(Z)-N-[4-(dimethylamino)butyl]-N'-hydroxy-3-(naphthalen-1-yloxymethyl)non-3-enediamide

C26H37N3O4 — CID 167158499

IUPAC(Z)-N-[4-(dimethylamino)butyl]-N'-hydroxy-3-(naphthalen-1-yloxymethyl)non-3-enediamide
SMILESCN(C)CCCCNC(=O)C/C(=C/CCCCC(=O)NO)COc1cccc2ccccc12
InChIInChI=1S/C26H37N3O4/c1-29(2)18-9-8-17-27-26(31)19-21(11-4-3-5-16-25(30)28-32)20-33-24-15-10-13-22-12-6-7-14-23(22)24/h6-7,10-15,32H,3-5,8-9,16-20H2,1-2H3,(H,27,31)(H,28,30)/b21-11-
InChIKeyRDQKOKMEUZNCBQ-NHDPSOOVSA-N
MW455.60 g/mol
LogP4.06
Rot. Bonds15

About (Z)-N-[4-(dimethylamino)butyl]-N'-hydroxy-3-(naphthalen-1-yloxymethyl)non-3-enediamide

(Z)-N-[4-(dimethylamino)butyl]-N'-hydroxy-3-(naphthalen-1-yloxymethyl)non-3-enediamide (PubChem CID 167158499) has the molecular formula C26H37N3O4 and a molecular weight of 455.60 g/mol. Its IUPAC name is (Z)-N-[4-(dimethylamino)butyl]-N'-hydroxy-3-(naphthalen-1-yloxymethyl)non-3-enediamide.

Molecular Properties

Compound Name(Z)-N-[4-(dimethylamino)butyl]-N'-hydroxy-3-(naphthalen-1-yloxymethyl)non-3-enediamide
PubChem CID167158499
Molecular FormulaC26H37N3O4
Molecular Weight455.60 g/mol
Exact Mass455.28
IUPAC Name(Z)-N-[4-(dimethylamino)butyl]-N'-hydroxy-3-(naphthalen-1-yloxymethyl)non-3-enediamide
SMILESCN(C)CCCCNC(=O)C/C(=C/CCCCC(=O)NO)COc1cccc2ccccc12
InChIInChI=1S/C26H37N3O4/c1-29(2)18-9-8-17-27-26(31)19-21(11-4-3-5-16-25(30)28-32)20-33-24-15-10-13-22-12-6-7-14-23(22)24/h6-7,10-15,32H,3-5,8-9,16-20H2,1-2H3,(H,27,31)(H,28,30)/b21-11-
InChIKeyRDQKOKMEUZNCBQ-NHDPSOOVSA-N
XLogP4.06
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.60
LogP ≤ 54.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[3-(dimethylamino)propyl]-N'-hydroxy-2-(naphthalen-1-yloxymethyl)oct-2-enediamide;phosphane
CID 175759899
N-hydroxy-7-(naphthalen-1-yloxymethyl)-8-[(1-propan-2-ylpiperidin-4-yl)amino]oct-6-enamide
CID 74349091
N-(2-cyclohex-2-en-1-ylethyl)-N'-hydroxy-2-(naphthalen-1-yloxymethyl)oct-2-enediamide
CID 91123826
(E)-7-[[2-[di(propan-2-yl)amino]ethylamino]methyl]-8-naphthalen-1-yloxy-N-(oxan-2-yloxy)oct-6-enamide
CID 87587419
methyl (E)-8-[2-[di(propan-2-yl)amino]ethylamino]-7-(naphthalen-1-yloxymethyl)-8-oxooct-6-enoate
CID 66987892
methyl 7-[(1-methoxypropan-2-ylamino)methyl]-8-naphthalen-1-yloxyoct-6-enoate
CID 66987341
N'-hydroxy-2-(naphthalen-1-yloxymethyl)-N-(1-propan-2-ylpiperidin-4-yl)oct-2-enediamide
CID 74348945
7-[[2-(4-fluorophenyl)ethylamino]methyl]-8-naphthalen-1-yloxyoct-6-enoic acid
CID 66987273
methyl 3-[(2-naphthalen-1-yloxyacetyl)amino]propanoate
CID 26635464
N'-hydroxy-2-(naphthalen-1-yloxymethyl)-N-(1-propan-2-ylpyrrolidin-3-yl)oct-2-enediamide
CID 90937867
N-(4-ethoxy-4-hydroxycyclohexa-1,5-dien-1-yl)-N'-hydroxy-2-(naphthalen-1-yloxymethyl)oct-2-enediamide
CID 173154785
N-[2-[di(propan-2-yl)amino]ethyl]-2-(naphthalen-1-yloxymethyl)-N'-(oxan-2-yloxy)oct-2-enediamide
CID 90699569

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[4-(dimethylamino)butyl]-N'-hydroxy-3-(naphthalen-1-yloxymethyl)non-3-enediamide?
The IUPAC name of (Z)-N-[4-(dimethylamino)butyl]-N'-hydroxy-3-(naphthalen-1-yloxymethyl)non-3-enediamide (CID 167158499) is (Z)-N-[4-(dimethylamino)butyl]-N'-hydroxy-3-(naphthalen-1-yloxymethyl)non-3-enediamide.
What is the SMILES notation for (Z)-N-[4-(dimethylamino)butyl]-N'-hydroxy-3-(naphthalen-1-yloxymethyl)non-3-enediamide?
The canonical SMILES for (Z)-N-[4-(dimethylamino)butyl]-N'-hydroxy-3-(naphthalen-1-yloxymethyl)non-3-enediamide is CN(C)CCCCNC(=O)C/C(=C/CCCCC(=O)NO)COc1cccc2ccccc12.
What is the InChIKey of (Z)-N-[4-(dimethylamino)butyl]-N'-hydroxy-3-(naphthalen-1-yloxymethyl)non-3-enediamide?
The InChIKey is RDQKOKMEUZNCBQ-NHDPSOOVSA-N. The full InChI is InChI=1S/C26H37N3O4/c1-29(2)18-9-8-17-27-26(31)19-21(11-4-3-5-16-25(30)28-32)20-33-24-15-10-13-22-12-6-7-14-23(22)24/h6-7,10-15,32H,3-5,8-9,16-20H2,1-2H3,(H,27,31)(H,28,30)/b21-11-.
What are the key properties of (Z)-N-[4-(dimethylamino)butyl]-N'-hydroxy-3-(naphthalen-1-yloxymethyl)non-3-enediamide?
(Z)-N-[4-(dimethylamino)butyl]-N'-hydroxy-3-(naphthalen-1-yloxymethyl)non-3-enediamide has a molecular weight of 455.60 g/mol, XLogP of 4.06, 15 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[4-(dimethylamino)butyl]-N'-hydroxy-3-(naphthalen-1-yloxymethyl)non-3-enediamide is sourced from PubChem (CID 167158499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).