N-[(E)-(1-hydroxynaphthalen-2-yl)methylideneamino]-3-phenylpropanamide

C20H18N2O2 — CID 135605985

IUPACN-[(E)-(1-hydroxynaphthalen-2-yl)methylideneamino]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)N/N=C/c1ccc2ccccc2c1O
InChIInChI=1S/C20H18N2O2/c23-19(13-10-15-6-2-1-3-7-15)22-21-14-17-12-11-16-8-4-5-9-18(16)20(17)24/h1-9,11-12,14,24H,10,13H2,(H,22,23)/b21-14+
InChIKeyKFHGNIUWNCIWIF-KGENOOAVSA-N
MW318.38 g/mol
LogP3.63
Rot. Bonds5

About N-[(E)-(1-hydroxynaphthalen-2-yl)methylideneamino]-3-phenylpropanamide

N-[(E)-(1-hydroxynaphthalen-2-yl)methylideneamino]-3-phenylpropanamide (PubChem CID 135605985) has the molecular formula C20H18N2O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is N-[(E)-(1-hydroxynaphthalen-2-yl)methylideneamino]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[(E)-(1-hydroxynaphthalen-2-yl)methylideneamino]-3-phenylpropanamide
PubChem CID135605985
Molecular FormulaC20H18N2O2
Molecular Weight318.38 g/mol
Exact Mass318.14
IUPAC NameN-[(E)-(1-hydroxynaphthalen-2-yl)methylideneamino]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)N/N=C/c1ccc2ccccc2c1O
InChIInChI=1S/C20H18N2O2/c23-19(13-10-15-6-2-1-3-7-15)22-21-14-17-12-11-16-8-4-5-9-18(16)20(17)24/h1-9,11-12,14,24H,10,13H2,(H,22,23)/b21-14+
InChIKeyKFHGNIUWNCIWIF-KGENOOAVSA-N
XLogP3.63
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 53.63
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[(1-hydroxynaphthalen-2-yl)methylideneamino]pentanediamide
CID 4547663
N-[(1-hydroxynaphthalen-2-yl)methylideneamino]-2-phenoxyacetamide
CID 4164317
N-[(1-hydroxynaphthalen-2-yl)methylideneamino]-3-methylbutanamide
CID 5177464
N-[(E)-(1-hydroxynaphthalen-2-yl)methylideneamino]-3-methylbutanamide
CID 135752096
N-[(E)-(2-methylphenyl)methylideneamino]-3-phenylpropanamide
CID 5338610
2-N,5-N-bis[(1-hydroxynaphthalen-2-yl)methylideneamino]furan-2,5-dicarboxamide
CID 4670148
2-N,5-N-bis[(E)-(1-hydroxynaphthalen-2-yl)methylideneamino]furan-2,5-dicarboxamide
CID 135837519
N-[(E)-naphthalen-1-ylmethylideneamino]-N'-[(Z)-naphthalen-1-ylmethylideneamino]butanediamide
CID 92959506
N-[(Z)-naphthalen-1-ylmethylideneamino]-2-phenylacetamide
CID 5407611
N-[(Z)-(2-hydroxy-4-methylphenyl)methylideneamino]-3-naphthalen-2-ylpropanamide
CID 137031824
3,4,5-trihydroxy-N-[(1-hydroxynaphthalen-2-yl)methylideneamino]benzamide
CID 4626466
2-chloro-N-[(Z)-(1-hydroxynaphthalen-2-yl)methylideneamino]benzamide
CID 135782033

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(1-hydroxynaphthalen-2-yl)methylideneamino]-3-phenylpropanamide?
The IUPAC name of N-[(E)-(1-hydroxynaphthalen-2-yl)methylideneamino]-3-phenylpropanamide (CID 135605985) is N-[(E)-(1-hydroxynaphthalen-2-yl)methylideneamino]-3-phenylpropanamide.
What is the SMILES notation for N-[(E)-(1-hydroxynaphthalen-2-yl)methylideneamino]-3-phenylpropanamide?
The canonical SMILES for N-[(E)-(1-hydroxynaphthalen-2-yl)methylideneamino]-3-phenylpropanamide is O=C(CCc1ccccc1)N/N=C/c1ccc2ccccc2c1O.
What is the InChIKey of N-[(E)-(1-hydroxynaphthalen-2-yl)methylideneamino]-3-phenylpropanamide?
The InChIKey is KFHGNIUWNCIWIF-KGENOOAVSA-N. The full InChI is InChI=1S/C20H18N2O2/c23-19(13-10-15-6-2-1-3-7-15)22-21-14-17-12-11-16-8-4-5-9-18(16)20(17)24/h1-9,11-12,14,24H,10,13H2,(H,22,23)/b21-14+.
What are the key properties of N-[(E)-(1-hydroxynaphthalen-2-yl)methylideneamino]-3-phenylpropanamide?
N-[(E)-(1-hydroxynaphthalen-2-yl)methylideneamino]-3-phenylpropanamide has a molecular weight of 318.38 g/mol, XLogP of 3.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(1-hydroxynaphthalen-2-yl)methylideneamino]-3-phenylpropanamide is sourced from PubChem (CID 135605985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).