(2S)-N-[(2,4-dimethoxyphenyl)methylideneamino]-2-(naphthalen-1-ylamino)propanamide

C22H23N3O3 — CID 165344462

IUPAC(2S)-N-[(2,4-dimethoxyphenyl)methylideneamino]-2-(naphthalen-1-ylamino)propanamide
SMILESCOc1ccc(C=NNC(=O)[C@H](C)Nc2cccc3ccccc23)c(OC)c1
InChIInChI=1S/C22H23N3O3/c1-15(24-20-10-6-8-16-7-4-5-9-19(16)20)22(26)25-23-14-17-11-12-18(27-2)13-21(17)28-3/h4-15,24H,1-3H3,(H,25,26)/t15-/m0/s1
InChIKeyVVPIPOANQPZNLD-HNNXBMFYSA-N
MW377.44 g/mol
LogP3.81
Rot. Bonds7

About (2S)-N-[(2,4-dimethoxyphenyl)methylideneamino]-2-(naphthalen-1-ylamino)propanamide

(2S)-N-[(2,4-dimethoxyphenyl)methylideneamino]-2-(naphthalen-1-ylamino)propanamide (PubChem CID 165344462) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is (2S)-N-[(2,4-dimethoxyphenyl)methylideneamino]-2-(naphthalen-1-ylamino)propanamide.

Molecular Properties

Compound Name(2S)-N-[(2,4-dimethoxyphenyl)methylideneamino]-2-(naphthalen-1-ylamino)propanamide
PubChem CID165344462
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name(2S)-N-[(2,4-dimethoxyphenyl)methylideneamino]-2-(naphthalen-1-ylamino)propanamide
SMILESCOc1ccc(C=NNC(=O)[C@H](C)Nc2cccc3ccccc23)c(OC)c1
InChIInChI=1S/C22H23N3O3/c1-15(24-20-10-6-8-16-7-4-5-9-19(16)20)22(26)25-23-14-17-11-12-18(27-2)13-21(17)28-3/h4-15,24H,1-3H3,(H,25,26)/t15-/m0/s1
InChIKeyVVPIPOANQPZNLD-HNNXBMFYSA-N
XLogP3.81
TPSA71.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-(naphthalen-1-ylamino)propanamide
CID 177089381
N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-2-methylpropanamide
CID 94833653
2-(2-methoxyanilino)-N-[(2-methoxyphenyl)methylideneamino]propanamide
CID 5212708
(2S)-N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-(naphthalen-1-ylamino)butanamide
CID 135688422
(2S)-N-[(Z)-1H-indol-3-ylmethylideneamino]-2-(naphthalen-1-ylamino)propanamide
CID 136720604
N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-(2-methoxyanilino)propanamide
CID 135683629
(2S)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-(2-methoxyanilino)propanamide
CID 136790489
(2S)-N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-2-(2-methoxyanilino)propanamide
CID 136851890
N-[(2,4-dimethoxyphenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 3422870
N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(4-methoxyanilino)propanamide
CID 5055270
N'-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-N-(2-hydroxyphenyl)heptanediamide
CID 44506961
N-[(E)-(2-bromo-5-methoxyphenyl)methylideneamino]-2-naphthalen-1-yloxypropanamide
CID 5335057

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2,4-dimethoxyphenyl)methylideneamino]-2-(naphthalen-1-ylamino)propanamide?
The IUPAC name of (2S)-N-[(2,4-dimethoxyphenyl)methylideneamino]-2-(naphthalen-1-ylamino)propanamide (CID 165344462) is (2S)-N-[(2,4-dimethoxyphenyl)methylideneamino]-2-(naphthalen-1-ylamino)propanamide.
What is the SMILES notation for (2S)-N-[(2,4-dimethoxyphenyl)methylideneamino]-2-(naphthalen-1-ylamino)propanamide?
The canonical SMILES for (2S)-N-[(2,4-dimethoxyphenyl)methylideneamino]-2-(naphthalen-1-ylamino)propanamide is COc1ccc(C=NNC(=O)[C@H](C)Nc2cccc3ccccc23)c(OC)c1.
What is the InChIKey of (2S)-N-[(2,4-dimethoxyphenyl)methylideneamino]-2-(naphthalen-1-ylamino)propanamide?
The InChIKey is VVPIPOANQPZNLD-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-15(24-20-10-6-8-16-7-4-5-9-19(16)20)22(26)25-23-14-17-11-12-18(27-2)13-21(17)28-3/h4-15,24H,1-3H3,(H,25,26)/t15-/m0/s1.
What are the key properties of (2S)-N-[(2,4-dimethoxyphenyl)methylideneamino]-2-(naphthalen-1-ylamino)propanamide?
(2S)-N-[(2,4-dimethoxyphenyl)methylideneamino]-2-(naphthalen-1-ylamino)propanamide has a molecular weight of 377.44 g/mol, XLogP of 3.81, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2,4-dimethoxyphenyl)methylideneamino]-2-(naphthalen-1-ylamino)propanamide is sourced from PubChem (CID 165344462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).