N,N'-bis(3-methylbutyl)-2-(naphthalen-1-ylmethylidene)propanediamide

C24H32N2O2 — CID 7967026

IUPACN,N'-bis(3-methylbutyl)-2-(naphthalen-1-ylmethylidene)propanediamide
SMILESCC(C)CCNC(=O)C(=Cc1cccc2ccccc12)C(=O)NCCC(C)C
InChIInChI=1S/C24H32N2O2/c1-17(2)12-14-25-23(27)22(24(28)26-15-13-18(3)4)16-20-10-7-9-19-8-5-6-11-21(19)20/h5-11,16-18H,12-15H2,1-4H3,(H,25,27)(H,26,28)
InChIKeyKSPHSPRNCPYNRI-UHFFFAOYSA-N
MW380.53 g/mol
LogP4.55
Rot. Bonds9

About N,N'-bis(3-methylbutyl)-2-(naphthalen-1-ylmethylidene)propanediamide

N,N'-bis(3-methylbutyl)-2-(naphthalen-1-ylmethylidene)propanediamide (PubChem CID 7967026) has the molecular formula C24H32N2O2 and a molecular weight of 380.53 g/mol. Its IUPAC name is N,N'-bis(3-methylbutyl)-2-(naphthalen-1-ylmethylidene)propanediamide.

Molecular Properties

Compound NameN,N'-bis(3-methylbutyl)-2-(naphthalen-1-ylmethylidene)propanediamide
PubChem CID7967026
Molecular FormulaC24H32N2O2
Molecular Weight380.53 g/mol
Exact Mass380.25
IUPAC NameN,N'-bis(3-methylbutyl)-2-(naphthalen-1-ylmethylidene)propanediamide
SMILESCC(C)CCNC(=O)C(=Cc1cccc2ccccc12)C(=O)NCCC(C)C
InChIInChI=1S/C24H32N2O2/c1-17(2)12-14-25-23(27)22(24(28)26-15-13-18(3)4)16-20-10-7-9-19-8-5-6-11-21(19)20/h5-11,16-18H,12-15H2,1-4H3,(H,25,27)(H,26,28)
InChIKeyKSPHSPRNCPYNRI-UHFFFAOYSA-N
XLogP4.55
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.53
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Related Compounds

2-[(2-ethoxyphenyl)methylidene]-N,N'-bis(3-methylbutyl)propanediamide
CID 5010674
2-[(2,5-dimethylphenyl)methylidene]-N,N'-bis(3-methylbutyl)propanediamide
CID 7967034
2-[(4-chlorophenyl)methylidene]-N,N'-bis(3-methylbutyl)propanediamide
CID 2375739
N,N'-bis(3-methylbutyl)-2-[(2-phenylpyrimidin-5-yl)methylidene]propanediamide
CID 55838959
(E)-2-acetamido-3-naphthalen-1-yl-N-propan-2-ylprop-2-enamide
CID 101112903
N-(3-methylbutyl)-2-oxo-1H-quinazoline-4-carboxamide
CID 110702557
(E)-3-(furan-2-yl)-N-(3-methylbutyl)-2-phenylprop-2-enamide
CID 6389358
N-(2-methylpropyl)-N'-[(E)-naphthalen-1-ylmethylideneamino]oxamide
CID 46741717
3-methyl-N-(3-methylbutyl)-1-benzofuran-2-carboxamide
CID 51172700
(E)-2-cyano-N-(3-methoxypropyl)-3-naphthalen-1-ylprop-2-enamide
CID 6214104
3-methyl-N-(3-methylbutyl)benzo[g][1]benzofuran-2-carboxamide
CID 7926460
1-[2-(bromomethyl)-3-methylbut-1-enyl]naphthalene
CID 79323139

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(3-methylbutyl)-2-(naphthalen-1-ylmethylidene)propanediamide?
The IUPAC name of N,N'-bis(3-methylbutyl)-2-(naphthalen-1-ylmethylidene)propanediamide (CID 7967026) is N,N'-bis(3-methylbutyl)-2-(naphthalen-1-ylmethylidene)propanediamide.
What is the SMILES notation for N,N'-bis(3-methylbutyl)-2-(naphthalen-1-ylmethylidene)propanediamide?
The canonical SMILES for N,N'-bis(3-methylbutyl)-2-(naphthalen-1-ylmethylidene)propanediamide is CC(C)CCNC(=O)C(=Cc1cccc2ccccc12)C(=O)NCCC(C)C.
What is the InChIKey of N,N'-bis(3-methylbutyl)-2-(naphthalen-1-ylmethylidene)propanediamide?
The InChIKey is KSPHSPRNCPYNRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O2/c1-17(2)12-14-25-23(27)22(24(28)26-15-13-18(3)4)16-20-10-7-9-19-8-5-6-11-21(19)20/h5-11,16-18H,12-15H2,1-4H3,(H,25,27)(H,26,28).
What are the key properties of N,N'-bis(3-methylbutyl)-2-(naphthalen-1-ylmethylidene)propanediamide?
N,N'-bis(3-methylbutyl)-2-(naphthalen-1-ylmethylidene)propanediamide has a molecular weight of 380.53 g/mol, XLogP of 4.55, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(3-methylbutyl)-2-(naphthalen-1-ylmethylidene)propanediamide is sourced from PubChem (CID 7967026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).