2-(naphthalen-2-ylamino)-N-(1-phenylbutan-2-ylideneamino)propanamide

C23H25N3O — CID 4274264

IUPAC2-(naphthalen-2-ylamino)-N-(1-phenylbutan-2-ylideneamino)propanamide
SMILESCCC(Cc1ccccc1)=NNC(=O)C(C)Nc1ccc2ccccc2c1
InChIInChI=1S/C23H25N3O/c1-3-21(15-18-9-5-4-6-10-18)25-26-23(27)17(2)24-22-14-13-19-11-7-8-12-20(19)16-22/h4-14,16-17,24H,3,15H2,1-2H3,(H,26,27)
InChIKeyKLRYKUDILQUPNM-UHFFFAOYSA-N
MW359.47 g/mol
LogP4.77
Rot. Bonds7

About 2-(naphthalen-2-ylamino)-N-(1-phenylbutan-2-ylideneamino)propanamide

2-(naphthalen-2-ylamino)-N-(1-phenylbutan-2-ylideneamino)propanamide (PubChem CID 4274264) has the molecular formula C23H25N3O and a molecular weight of 359.47 g/mol. Its IUPAC name is 2-(naphthalen-2-ylamino)-N-(1-phenylbutan-2-ylideneamino)propanamide.

Molecular Properties

Compound Name2-(naphthalen-2-ylamino)-N-(1-phenylbutan-2-ylideneamino)propanamide
PubChem CID4274264
Molecular FormulaC23H25N3O
Molecular Weight359.47 g/mol
Exact Mass359.20
IUPAC Name2-(naphthalen-2-ylamino)-N-(1-phenylbutan-2-ylideneamino)propanamide
SMILESCCC(Cc1ccccc1)=NNC(=O)C(C)Nc1ccc2ccccc2c1
InChIInChI=1S/C23H25N3O/c1-3-21(15-18-9-5-4-6-10-18)25-26-23(27)17(2)24-22-14-13-19-11-7-8-12-20(19)16-22/h4-14,16-17,24H,3,15H2,1-2H3,(H,26,27)
InChIKeyKLRYKUDILQUPNM-UHFFFAOYSA-N
XLogP4.77
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 54.77
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

2-(naphthalen-2-ylamino)-N-[(Z)-1-phenylbutan-2-ylideneamino]acetamide
CID 6529279
(2S)-2-(naphthalen-2-ylamino)-N-[(Z)-1-phenylethylideneamino]propanamide
CID 6858361
(2S)-N-[(Z)-benzylideneamino]-2-(naphthalen-2-ylamino)propanamide
CID 5390537
2-(naphthalen-2-ylamino)-N-propylpropanamide
CID 43401181
(2R)-N-[(Z)-1-(4-methylphenyl)ethylideneamino]-2-(naphthalen-2-ylamino)propanamide
CID 5390539
2-(naphthalen-2-ylamino)-N-prop-2-ynylpropanamide
CID 43420257
2-[4-[2-(methylamino)-2-oxoethyl]anilino]-N-naphthalen-2-ylpropanamide
CID 86924157
2-(naphthalen-2-ylamino)-N-pentylpropanamide
CID 43420250
N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-(naphthalen-2-ylamino)propanamide
CID 4264339
N-(3-methylbutyl)-2-(naphthalen-2-ylamino)propanamide
CID 43420253
N-tert-butyl-2-(naphthalen-2-ylamino)propanamide
CID 43401178
(2S)-N-[(Z)-(4-methylphenyl)methylideneamino]-2-(naphthalen-2-ylamino)propanamide
CID 5390587

Frequently Asked Questions

What is the IUPAC name of 2-(naphthalen-2-ylamino)-N-(1-phenylbutan-2-ylideneamino)propanamide?
The IUPAC name of 2-(naphthalen-2-ylamino)-N-(1-phenylbutan-2-ylideneamino)propanamide (CID 4274264) is 2-(naphthalen-2-ylamino)-N-(1-phenylbutan-2-ylideneamino)propanamide.
What is the SMILES notation for 2-(naphthalen-2-ylamino)-N-(1-phenylbutan-2-ylideneamino)propanamide?
The canonical SMILES for 2-(naphthalen-2-ylamino)-N-(1-phenylbutan-2-ylideneamino)propanamide is CCC(Cc1ccccc1)=NNC(=O)C(C)Nc1ccc2ccccc2c1.
What is the InChIKey of 2-(naphthalen-2-ylamino)-N-(1-phenylbutan-2-ylideneamino)propanamide?
The InChIKey is KLRYKUDILQUPNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O/c1-3-21(15-18-9-5-4-6-10-18)25-26-23(27)17(2)24-22-14-13-19-11-7-8-12-20(19)16-22/h4-14,16-17,24H,3,15H2,1-2H3,(H,26,27).
What are the key properties of 2-(naphthalen-2-ylamino)-N-(1-phenylbutan-2-ylideneamino)propanamide?
2-(naphthalen-2-ylamino)-N-(1-phenylbutan-2-ylideneamino)propanamide has a molecular weight of 359.47 g/mol, XLogP of 4.77, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(naphthalen-2-ylamino)-N-(1-phenylbutan-2-ylideneamino)propanamide is sourced from PubChem (CID 4274264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).