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

C20H19N3O — CID 5390537

IUPAC(2S)-N-[(Z)-benzylideneamino]-2-(naphthalen-2-ylamino)propanamide
SMILESC[C@H](Nc1ccc2ccccc2c1)C(=O)N/N=C\c1ccccc1
InChIInChI=1S/C20H19N3O/c1-15(20(24)23-21-14-16-7-3-2-4-8-16)22-19-12-11-17-9-5-6-10-18(17)13-19/h2-15,22H,1H3,(H,23,24)/b21-14-/t15-/m0/s1
InChIKeyUPAYRJGXXKDNEC-JTMDUIFQSA-N
MW317.39 g/mol
LogP3.79
Rot. Bonds5

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

(2S)-N-[(Z)-benzylideneamino]-2-(naphthalen-2-ylamino)propanamide (PubChem CID 5390537) has the molecular formula C20H19N3O and a molecular weight of 317.39 g/mol. Its IUPAC name is (2S)-N-[(Z)-benzylideneamino]-2-(naphthalen-2-ylamino)propanamide.

Molecular Properties

Compound Name(2S)-N-[(Z)-benzylideneamino]-2-(naphthalen-2-ylamino)propanamide
PubChem CID5390537
Molecular FormulaC20H19N3O
Molecular Weight317.39 g/mol
Exact Mass317.15
IUPAC Name(2S)-N-[(Z)-benzylideneamino]-2-(naphthalen-2-ylamino)propanamide
SMILESC[C@H](Nc1ccc2ccccc2c1)C(=O)N/N=C\c1ccccc1
InChIInChI=1S/C20H19N3O/c1-15(20(24)23-21-14-16-7-3-2-4-8-16)22-19-12-11-17-9-5-6-10-18(17)13-19/h2-15,22H,1H3,(H,23,24)/b21-14-/t15-/m0/s1
InChIKeyUPAYRJGXXKDNEC-JTMDUIFQSA-N
XLogP3.79
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 53.79
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

(2S)-N-[(Z)-(4-methylphenyl)methylideneamino]-2-(naphthalen-2-ylamino)propanamide
CID 5390587
(2S)-2-(naphthalen-2-ylamino)-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]propanamide
CID 7784433
N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-(naphthalen-2-ylamino)propanamide
CID 4264339
(2R)-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-2-(naphthalen-2-ylamino)propanamide
CID 5397742
(2S)-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-2-(naphthalen-2-ylamino)propanamide
CID 5397743
(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
2-(3-chloroanilino)-N-(naphthalen-2-ylmethylideneamino)propanamide
CID 3917683
(2S)-2-(3-chloroanilino)-N-[(Z)-naphthalen-2-ylmethylideneamino]propanamide
CID 5498491
(2S)-N-[(Z)-1H-indol-3-ylmethylideneamino]-2-(naphthalen-2-ylamino)propanamide
CID 136858114
(2S)-2-(naphthalen-2-ylamino)-N-[(Z)-1-phenylethylideneamino]propanamide
CID 6858361
(2S)-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(naphthalen-2-ylamino)propanamide
CID 135688928

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(Z)-benzylideneamino]-2-(naphthalen-2-ylamino)propanamide?
The IUPAC name of (2S)-N-[(Z)-benzylideneamino]-2-(naphthalen-2-ylamino)propanamide (CID 5390537) is (2S)-N-[(Z)-benzylideneamino]-2-(naphthalen-2-ylamino)propanamide.
What is the SMILES notation for (2S)-N-[(Z)-benzylideneamino]-2-(naphthalen-2-ylamino)propanamide?
The canonical SMILES for (2S)-N-[(Z)-benzylideneamino]-2-(naphthalen-2-ylamino)propanamide is C[C@H](Nc1ccc2ccccc2c1)C(=O)N/N=C\c1ccccc1.
What is the InChIKey of (2S)-N-[(Z)-benzylideneamino]-2-(naphthalen-2-ylamino)propanamide?
The InChIKey is UPAYRJGXXKDNEC-JTMDUIFQSA-N. The full InChI is InChI=1S/C20H19N3O/c1-15(20(24)23-21-14-16-7-3-2-4-8-16)22-19-12-11-17-9-5-6-10-18(17)13-19/h2-15,22H,1H3,(H,23,24)/b21-14-/t15-/m0/s1.
What are the key properties of (2S)-N-[(Z)-benzylideneamino]-2-(naphthalen-2-ylamino)propanamide?
(2S)-N-[(Z)-benzylideneamino]-2-(naphthalen-2-ylamino)propanamide has a molecular weight of 317.39 g/mol, XLogP of 3.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(Z)-benzylideneamino]-2-(naphthalen-2-ylamino)propanamide is sourced from PubChem (CID 5390537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).