(2S)-2-(naphthalen-2-ylamino)-N-[(Z)-1-phenylethylideneamino]propanamide

C21H21N3O — CID 6858361

IUPAC(2S)-2-(naphthalen-2-ylamino)-N-[(Z)-1-phenylethylideneamino]propanamide
SMILESC/C(=N/NC(=O)[C@H](C)Nc1ccc2ccccc2c1)c1ccccc1
InChIInChI=1S/C21H21N3O/c1-15(17-8-4-3-5-9-17)23-24-21(25)16(2)22-20-13-12-18-10-6-7-11-19(18)14-20/h3-14,16,22H,1-2H3,(H,24,25)/b23-15-/t16-/m0/s1
InChIKeyZJANYEFRHZDYCZ-VBHMAFOESA-N
MW331.42 g/mol
LogP4.18
Rot. Bonds5

About (2S)-2-(naphthalen-2-ylamino)-N-[(Z)-1-phenylethylideneamino]propanamide

(2S)-2-(naphthalen-2-ylamino)-N-[(Z)-1-phenylethylideneamino]propanamide (PubChem CID 6858361) has the molecular formula C21H21N3O and a molecular weight of 331.42 g/mol. Its IUPAC name is (2S)-2-(naphthalen-2-ylamino)-N-[(Z)-1-phenylethylideneamino]propanamide.

Molecular Properties

Compound Name(2S)-2-(naphthalen-2-ylamino)-N-[(Z)-1-phenylethylideneamino]propanamide
PubChem CID6858361
Molecular FormulaC21H21N3O
Molecular Weight331.42 g/mol
Exact Mass331.17
IUPAC Name(2S)-2-(naphthalen-2-ylamino)-N-[(Z)-1-phenylethylideneamino]propanamide
SMILESC/C(=N/NC(=O)[C@H](C)Nc1ccc2ccccc2c1)c1ccccc1
InChIInChI=1S/C21H21N3O/c1-15(17-8-4-3-5-9-17)23-24-21(25)16(2)22-20-13-12-18-10-6-7-11-19(18)14-20/h3-14,16,22H,1-2H3,(H,24,25)/b23-15-/t16-/m0/s1
InChIKeyZJANYEFRHZDYCZ-VBHMAFOESA-N
XLogP4.18
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-N-[(Z)-1-(4-methylphenyl)ethylideneamino]-2-(naphthalen-2-ylamino)propanamide
CID 5390539
(2R)-2-(4-methoxyanilino)-N-[(E)-1-phenylethylideneamino]propanamide
CID 5403118
2-(4-methoxyanilino)-N-(1-naphthalen-2-ylethylideneamino)propanamide
CID 71960241
(2R)-2-(4-iodo-3-methylanilino)-N-[(E)-1-naphthalen-2-ylethylideneamino]propanamide
CID 28872870
2-(4-ethoxyanilino)-N-(1-naphthalen-2-ylethylideneamino)propanamide
CID 71960214
(2S)-N-[(Z)-benzylideneamino]-2-(naphthalen-2-ylamino)propanamide
CID 5390537
2-(naphthalen-2-ylamino)-N-(1-phenylbutan-2-ylideneamino)propanamide
CID 4274264
(2S)-2-anilino-N-[(Z)-1-(4-fluorophenyl)ethylideneamino]propanamide
CID 51414732
(2S)-N-[(2-chlorophenyl)methylideneamino]-2-(naphthalen-2-ylamino)propanamide
CID 1278023
(2S)-N-[(Z)-(2-fluorophenyl)methylideneamino]-2-(naphthalen-2-ylamino)propanamide
CID 5390583
(2S)-2-(2,4-dimethylanilino)-N-(1-naphthalen-2-ylethylideneamino)propanamide
CID 999697
N-tert-butyl-2-(naphthalen-2-ylamino)propanamide
CID 43401178

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(naphthalen-2-ylamino)-N-[(Z)-1-phenylethylideneamino]propanamide?
The IUPAC name of (2S)-2-(naphthalen-2-ylamino)-N-[(Z)-1-phenylethylideneamino]propanamide (CID 6858361) is (2S)-2-(naphthalen-2-ylamino)-N-[(Z)-1-phenylethylideneamino]propanamide.
What is the SMILES notation for (2S)-2-(naphthalen-2-ylamino)-N-[(Z)-1-phenylethylideneamino]propanamide?
The canonical SMILES for (2S)-2-(naphthalen-2-ylamino)-N-[(Z)-1-phenylethylideneamino]propanamide is C/C(=N/NC(=O)[C@H](C)Nc1ccc2ccccc2c1)c1ccccc1.
What is the InChIKey of (2S)-2-(naphthalen-2-ylamino)-N-[(Z)-1-phenylethylideneamino]propanamide?
The InChIKey is ZJANYEFRHZDYCZ-VBHMAFOESA-N. The full InChI is InChI=1S/C21H21N3O/c1-15(17-8-4-3-5-9-17)23-24-21(25)16(2)22-20-13-12-18-10-6-7-11-19(18)14-20/h3-14,16,22H,1-2H3,(H,24,25)/b23-15-/t16-/m0/s1.
What are the key properties of (2S)-2-(naphthalen-2-ylamino)-N-[(Z)-1-phenylethylideneamino]propanamide?
(2S)-2-(naphthalen-2-ylamino)-N-[(Z)-1-phenylethylideneamino]propanamide has a molecular weight of 331.42 g/mol, XLogP of 4.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(naphthalen-2-ylamino)-N-[(Z)-1-phenylethylideneamino]propanamide is sourced from PubChem (CID 6858361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).