N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]propanamide

C14H14N2O2 — CID 172961658

IUPACN-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]propanamide
SMILESCCC(=O)N/N=C/c1c(O)ccc2ccccc12
InChIInChI=1S/C14H14N2O2/c1-2-14(18)16-15-9-12-11-6-4-3-5-10(11)7-8-13(12)17/h3-9,17H,2H2,1H3,(H,16,18)/b15-9+
InChIKeyVXDOBRQITYVCFL-OQLLNIDSSA-N
MW242.28 g/mol
LogP2.41
Rot. Bonds3

About N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]propanamide

N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]propanamide (PubChem CID 172961658) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]propanamide.

Molecular Properties

Compound NameN-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]propanamide
PubChem CID172961658
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC NameN-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]propanamide
SMILESCCC(=O)N/N=C/c1c(O)ccc2ccccc12
InChIInChI=1S/C14H14N2O2/c1-2-14(18)16-15-9-12-11-6-4-3-5-10(11)7-8-13(12)17/h3-9,17H,2H2,1H3,(H,16,18)/b15-9+
InChIKeyVXDOBRQITYVCFL-OQLLNIDSSA-N
XLogP2.41
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N,N'-bis[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]propanediamide
CID 135615439
N,N'-bis[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]hexanediamide
CID 135616078
N,N'-bis[(2-hydroxynaphthalen-1-yl)methylideneamino]heptanediamide
CID 3500050
1,3-bis[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]urea
CID 136829549
1,3-bis[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]urea
CID 135533440
N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-[2-[(2E)-2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]-2-oxoethoxy]acetamide
CID 135491092
N-[(2-hydroxynaphthalen-1-yl)methylideneamino]dodecanamide
CID 5068789
N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]undecanamide
CID 135738478
methyl N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]carbamate
CID 135588910
N'-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-N-propan-2-yloxamide
CID 136764623
N'-[(2-hydroxynaphthalen-1-yl)methylideneamino]oxamide
CID 2643236
2-(2,4-dimethylphenyl)-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide
CID 137258704

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]propanamide?
The IUPAC name of N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]propanamide (CID 172961658) is N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]propanamide.
What is the SMILES notation for N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]propanamide?
The canonical SMILES for N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]propanamide is CCC(=O)N/N=C/c1c(O)ccc2ccccc12.
What is the InChIKey of N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]propanamide?
The InChIKey is VXDOBRQITYVCFL-OQLLNIDSSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-2-14(18)16-15-9-12-11-6-4-3-5-10(11)7-8-13(12)17/h3-9,17H,2H2,1H3,(H,16,18)/b15-9+.
What are the key properties of N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]propanamide?
N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]propanamide has a molecular weight of 242.28 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]propanamide is sourced from PubChem (CID 172961658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).