(2S)-N-cyclohexyl-2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-4-methylpentanamide

C23H30N2O2 — CID 135516858

IUPAC(2S)-N-cyclohexyl-2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-4-methylpentanamide
SMILESCC(C)C[C@H](/N=C/c1c(O)ccc2ccccc12)C(=O)NC1CCCCC1
InChIInChI=1S/C23H30N2O2/c1-16(2)14-21(23(27)25-18-9-4-3-5-10-18)24-15-20-19-11-7-6-8-17(19)12-13-22(20)26/h6-8,11-13,15-16,18,21,26H,3-5,9-10,14H2,1-2H3,(H,25,27)/b24-15+/t21-/m0/s1
InChIKeyKKGNYRFJGBQDKX-SGSZHJQISA-N
MW366.51 g/mol
LogP4.83
Rot. Bonds6

About (2S)-N-cyclohexyl-2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-4-methylpentanamide

(2S)-N-cyclohexyl-2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-4-methylpentanamide (PubChem CID 135516858) has the molecular formula C23H30N2O2 and a molecular weight of 366.51 g/mol. Its IUPAC name is (2S)-N-cyclohexyl-2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-4-methylpentanamide.

Molecular Properties

Compound Name(2S)-N-cyclohexyl-2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-4-methylpentanamide
PubChem CID135516858
Molecular FormulaC23H30N2O2
Molecular Weight366.51 g/mol
Exact Mass366.23
IUPAC Name(2S)-N-cyclohexyl-2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-4-methylpentanamide
SMILESCC(C)C[C@H](/N=C/c1c(O)ccc2ccccc12)C(=O)NC1CCCCC1
InChIInChI=1S/C23H30N2O2/c1-16(2)14-21(23(27)25-18-9-4-3-5-10-18)24-15-20-19-11-7-6-8-17(19)12-13-22(20)26/h6-8,11-13,15-16,18,21,26H,3-5,9-10,14H2,1-2H3,(H,25,27)/b24-15+/t21-/m0/s1
InChIKeyKKGNYRFJGBQDKX-SGSZHJQISA-N
XLogP4.83
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(2S)-N-cyclohexyl-2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2-phenylacetamide
CID 135492595
1-(propan-2-yliminomethyl)naphthalen-2-ol
CID 4779256
methyl (2S)-2-[(2-hydroxynaphthalen-1-yl)methylideneamino]propanoate
CID 135855183
N-cyclopropyl-N'-[(2-hydroxynaphthalen-1-yl)methylideneamino]oxamide
CID 3537553
(2S)-3-hydroxy-2-[(2-hydroxynaphthalen-1-yl)methylideneamino]propanoic acid;methanol;oxovanadium
CID 135497072
(2R)-N-cyclopentyl-2-(1-formylnaphthalen-2-yl)oxypropanamide
CID 7763358
(2S)-2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-3-methyl-N'-phenylbutanehydrazide
CID 139178452
(2S)-2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-3,3-dimethylbutanoic acid
CID 135445295
N'-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-N-propan-2-yloxamide
CID 136764623
1-[[2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-1,2-diphenylethyl]iminomethyl]naphthalen-2-ol
CID 3576819
N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-1-methylpiperidin-1-ium-2-carboxamide
CID 3545962
(2R)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-1-methylpiperidine-2-carboxamide
CID 136900702

Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclohexyl-2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-4-methylpentanamide?
The IUPAC name of (2S)-N-cyclohexyl-2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-4-methylpentanamide (CID 135516858) is (2S)-N-cyclohexyl-2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-4-methylpentanamide.
What is the SMILES notation for (2S)-N-cyclohexyl-2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-4-methylpentanamide?
The canonical SMILES for (2S)-N-cyclohexyl-2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-4-methylpentanamide is CC(C)C[C@H](/N=C/c1c(O)ccc2ccccc12)C(=O)NC1CCCCC1.
What is the InChIKey of (2S)-N-cyclohexyl-2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-4-methylpentanamide?
The InChIKey is KKGNYRFJGBQDKX-SGSZHJQISA-N. The full InChI is InChI=1S/C23H30N2O2/c1-16(2)14-21(23(27)25-18-9-4-3-5-10-18)24-15-20-19-11-7-6-8-17(19)12-13-22(20)26/h6-8,11-13,15-16,18,21,26H,3-5,9-10,14H2,1-2H3,(H,25,27)/b24-15+/t21-/m0/s1.
What are the key properties of (2S)-N-cyclohexyl-2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-4-methylpentanamide?
(2S)-N-cyclohexyl-2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-4-methylpentanamide has a molecular weight of 366.51 g/mol, XLogP of 4.83, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cyclohexyl-2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-4-methylpentanamide is sourced from PubChem (CID 135516858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).