(2S)-2-(naphthalen-2-ylamino)-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]propanamide

C23H25N3O — CID 7784433

IUPAC(2S)-2-(naphthalen-2-ylamino)-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]propanamide
SMILESCC(C)c1ccc(/C=N\NC(=O)[C@H](C)Nc2ccc3ccccc3c2)cc1
InChIInChI=1S/C23H25N3O/c1-16(2)19-10-8-18(9-11-19)15-24-26-23(27)17(3)25-22-13-12-20-6-4-5-7-21(20)14-22/h4-17,25H,1-3H3,(H,26,27)/b24-15-/t17-/m0/s1
InChIKeyNCZMWYOJYZUEAS-HZRSJKMUSA-N
MW359.47 g/mol
LogP4.91
Rot. Bonds6

About (2S)-2-(naphthalen-2-ylamino)-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]propanamide

(2S)-2-(naphthalen-2-ylamino)-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]propanamide (PubChem CID 7784433) has the molecular formula C23H25N3O and a molecular weight of 359.47 g/mol. Its IUPAC name is (2S)-2-(naphthalen-2-ylamino)-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]propanamide.

Molecular Properties

Compound Name(2S)-2-(naphthalen-2-ylamino)-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]propanamide
PubChem CID7784433
Molecular FormulaC23H25N3O
Molecular Weight359.47 g/mol
Exact Mass359.20
IUPAC Name(2S)-2-(naphthalen-2-ylamino)-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]propanamide
SMILESCC(C)c1ccc(/C=N\NC(=O)[C@H](C)Nc2ccc3ccccc3c2)cc1
InChIInChI=1S/C23H25N3O/c1-16(2)19-10-8-18(9-11-19)15-24-26-23(27)17(3)25-22-13-12-20-6-4-5-7-21(20)14-22/h4-17,25H,1-3H3,(H,26,27)/b24-15-/t17-/m0/s1
InChIKeyNCZMWYOJYZUEAS-HZRSJKMUSA-N
XLogP4.91
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 54.91
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)-benzylideneamino]-2-(naphthalen-2-ylamino)propanamide
CID 5390537
(2S)-N-[(Z)-(4-methylphenyl)methylideneamino]-2-(naphthalen-2-ylamino)propanamide
CID 5390587
2-(4-methoxyanilino)-N-[(4-propan-2-ylphenyl)methylideneamino]propanamide
CID 5063444
2-(3-chloroanilino)-N-(naphthalen-2-ylmethylideneamino)propanamide
CID 3917683
(2S)-2-(3-chloroanilino)-N-[(Z)-naphthalen-2-ylmethylideneamino]propanamide
CID 5498491
N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-(naphthalen-2-ylamino)propanamide
CID 4264339
(2S)-N-[(2-chlorophenyl)methylideneamino]-2-(naphthalen-2-ylamino)propanamide
CID 1278023
(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-[(Z)-(2-fluorophenyl)methylideneamino]-2-(naphthalen-2-ylamino)propanamide
CID 5390583
(2R)-2-(4-methoxyanilino)-N-[(4-methoxyphenyl)methylideneamino]propanamide
CID 840626
(2S)-N-[(Z)-1H-indol-3-ylmethylideneamino]-2-(naphthalen-2-ylamino)propanamide
CID 136858114

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(naphthalen-2-ylamino)-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]propanamide?
The IUPAC name of (2S)-2-(naphthalen-2-ylamino)-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]propanamide (CID 7784433) is (2S)-2-(naphthalen-2-ylamino)-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]propanamide.
What is the SMILES notation for (2S)-2-(naphthalen-2-ylamino)-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]propanamide?
The canonical SMILES for (2S)-2-(naphthalen-2-ylamino)-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]propanamide is CC(C)c1ccc(/C=N\NC(=O)[C@H](C)Nc2ccc3ccccc3c2)cc1.
What is the InChIKey of (2S)-2-(naphthalen-2-ylamino)-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]propanamide?
The InChIKey is NCZMWYOJYZUEAS-HZRSJKMUSA-N. The full InChI is InChI=1S/C23H25N3O/c1-16(2)19-10-8-18(9-11-19)15-24-26-23(27)17(3)25-22-13-12-20-6-4-5-7-21(20)14-22/h4-17,25H,1-3H3,(H,26,27)/b24-15-/t17-/m0/s1.
What are the key properties of (2S)-2-(naphthalen-2-ylamino)-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]propanamide?
(2S)-2-(naphthalen-2-ylamino)-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]propanamide has a molecular weight of 359.47 g/mol, XLogP of 4.91, 6 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)-(4-propan-2-ylphenyl)methylideneamino]propanamide is sourced from PubChem (CID 7784433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).