(2S)-N-[(Z)-1H-indol-3-ylmethylideneamino]-2-(naphthalen-1-ylamino)propanamide

C22H20N4O — CID 136720604

IUPAC(2S)-N-[(Z)-1H-indol-3-ylmethylideneamino]-2-(naphthalen-1-ylamino)propanamide
SMILESC[C@H](Nc1cccc2ccccc12)C(=O)N/N=C\c1c[nH]c2ccccc12
InChIInChI=1S/C22H20N4O/c1-15(25-21-12-6-8-16-7-2-3-9-18(16)21)22(27)26-24-14-17-13-23-20-11-5-4-10-19(17)20/h2-15,23,25H,1H3,(H,26,27)/b24-14-/t15-/m0/s1
InChIKeySXEDIASHUUPMFI-YNNOXIHVSA-N
MW356.43 g/mol
LogP4.27
Rot. Bonds5

About (2S)-N-[(Z)-1H-indol-3-ylmethylideneamino]-2-(naphthalen-1-ylamino)propanamide

(2S)-N-[(Z)-1H-indol-3-ylmethylideneamino]-2-(naphthalen-1-ylamino)propanamide (PubChem CID 136720604) has the molecular formula C22H20N4O and a molecular weight of 356.43 g/mol. Its IUPAC name is (2S)-N-[(Z)-1H-indol-3-ylmethylideneamino]-2-(naphthalen-1-ylamino)propanamide.

Molecular Properties

Compound Name(2S)-N-[(Z)-1H-indol-3-ylmethylideneamino]-2-(naphthalen-1-ylamino)propanamide
PubChem CID136720604
Molecular FormulaC22H20N4O
Molecular Weight356.43 g/mol
Exact Mass356.16
IUPAC Name(2S)-N-[(Z)-1H-indol-3-ylmethylideneamino]-2-(naphthalen-1-ylamino)propanamide
SMILESC[C@H](Nc1cccc2ccccc12)C(=O)N/N=C\c1c[nH]c2ccccc12
InChIInChI=1S/C22H20N4O/c1-15(25-21-12-6-8-16-7-2-3-9-18(16)21)22(27)26-24-14-17-13-23-20-11-5-4-10-19(17)20/h2-15,23,25H,1H3,(H,26,27)/b24-14-/t15-/m0/s1
InChIKeySXEDIASHUUPMFI-YNNOXIHVSA-N
XLogP4.27
TPSA69.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 54.27
H-Bond Donors ≤ 53
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'}

Analyze (2S)-N-[(Z)-1H-indol-3-ylmethylideneamino]-2-(naphthalen-1-ylamino)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-N-[(Z)-1H-indol-3-ylmethylideneamino]-2-(naphthalen-2-ylamino)propanamide
CID 136858114
(2S)-2-(2,6-dimethylanilino)-N-[(E)-1H-indol-3-ylmethylideneamino]propanamide
CID 135827906
(2S)-2-(1,3-benzothiazol-2-ylamino)-N-[(E)-1H-indol-3-ylmethylideneamino]propanamide
CID 135811914
N-[(E)-1H-indol-3-ylmethylideneamino]-N'-[(Z)-1H-indol-3-ylmethylideneamino]butanediamide
CID 136861417
(2S)-N-[(2,4-dimethoxyphenyl)methylideneamino]-2-(naphthalen-1-ylamino)propanamide
CID 165344462
(2S)-N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-(naphthalen-1-ylamino)propanamide
CID 177089381
N-(1H-indol-3-ylmethylideneamino)-N'-[(E)-1H-indol-3-ylmethylideneamino]oxamide
CID 135810504
1-hydroxy-3-(1H-indol-3-ylmethylideneamino)urea
CID 137212579
(2R)-N-[(Z)-1H-indol-3-ylmethylideneamino]-2-(4-methoxyanilino)butanamide
CID 136887190
N-(1H-indol-3-ylmethylideneamino)-2-(4-methoxyanilino)butanamide
CID 4167340
N'-[(E)-1H-indol-3-ylmethylideneamino]-N-(2-methylpropyl)oxamide
CID 135814046
(2S)-2-(4-bromoanilino)-N-[(E)-1H-indol-3-ylmethylideneamino]butanamide
CID 135689021

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(Z)-1H-indol-3-ylmethylideneamino]-2-(naphthalen-1-ylamino)propanamide?
The IUPAC name of (2S)-N-[(Z)-1H-indol-3-ylmethylideneamino]-2-(naphthalen-1-ylamino)propanamide (CID 136720604) is (2S)-N-[(Z)-1H-indol-3-ylmethylideneamino]-2-(naphthalen-1-ylamino)propanamide.
What is the SMILES notation for (2S)-N-[(Z)-1H-indol-3-ylmethylideneamino]-2-(naphthalen-1-ylamino)propanamide?
The canonical SMILES for (2S)-N-[(Z)-1H-indol-3-ylmethylideneamino]-2-(naphthalen-1-ylamino)propanamide is C[C@H](Nc1cccc2ccccc12)C(=O)N/N=C\c1c[nH]c2ccccc12.
What is the InChIKey of (2S)-N-[(Z)-1H-indol-3-ylmethylideneamino]-2-(naphthalen-1-ylamino)propanamide?
The InChIKey is SXEDIASHUUPMFI-YNNOXIHVSA-N. The full InChI is InChI=1S/C22H20N4O/c1-15(25-21-12-6-8-16-7-2-3-9-18(16)21)22(27)26-24-14-17-13-23-20-11-5-4-10-19(17)20/h2-15,23,25H,1H3,(H,26,27)/b24-14-/t15-/m0/s1.
What are the key properties of (2S)-N-[(Z)-1H-indol-3-ylmethylideneamino]-2-(naphthalen-1-ylamino)propanamide?
(2S)-N-[(Z)-1H-indol-3-ylmethylideneamino]-2-(naphthalen-1-ylamino)propanamide has a molecular weight of 356.43 g/mol, XLogP of 4.27, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(Z)-1H-indol-3-ylmethylideneamino]-2-(naphthalen-1-ylamino)propanamide is sourced from PubChem (CID 136720604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).