(2R)-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-2-(naphthalen-2-ylamino)propanamide

C19H19N3O2 — CID 5397742

IUPAC(2R)-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-2-(naphthalen-2-ylamino)propanamide
SMILESCc1ccc(/C=N\NC(=O)[C@@H](C)Nc2ccc3ccccc3c2)o1
InChIInChI=1S/C19H19N3O2/c1-13-7-10-18(24-13)12-20-22-19(23)14(2)21-17-9-8-15-5-3-4-6-16(15)11-17/h3-12,14,21H,1-2H3,(H,22,23)/b20-12-/t14-/m1/s1
InChIKeyBJEHEXWSJOVSDG-FAPYRAKZSA-N
MW321.38 g/mol
LogP3.69
Rot. Bonds5

About (2R)-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-2-(naphthalen-2-ylamino)propanamide

(2R)-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-2-(naphthalen-2-ylamino)propanamide (PubChem CID 5397742) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is (2R)-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-2-(naphthalen-2-ylamino)propanamide.

Molecular Properties

Compound Name(2R)-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-2-(naphthalen-2-ylamino)propanamide
PubChem CID5397742
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name(2R)-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-2-(naphthalen-2-ylamino)propanamide
SMILESCc1ccc(/C=N\NC(=O)[C@@H](C)Nc2ccc3ccccc3c2)o1
InChIInChI=1S/C19H19N3O2/c1-13-7-10-18(24-13)12-20-22-19(23)14(2)21-17-9-8-15-5-3-4-6-16(15)11-17/h3-12,14,21H,1-2H3,(H,22,23)/b20-12-/t14-/m1/s1
InChIKeyBJEHEXWSJOVSDG-FAPYRAKZSA-N
XLogP3.69
TPSA66.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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)-(5-methylfuran-2-yl)methylideneamino]-2-(naphthalen-2-ylamino)propanamide
CID 5397743
(2S)-N-[(Z)-benzylideneamino]-2-(naphthalen-2-ylamino)propanamide
CID 5390537
(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
(2S)-2-(4-chloroanilino)-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]propanamide
CID 5403140
2-(4-chloroanilino)-N-[(5-methylfuran-2-yl)methylideneamino]propanamide
CID 2863483
2-(2-methylanilino)-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]propanamide
CID 6178020
(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
N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-(naphthalen-2-ylamino)propanamide
CID 4264339
(2S)-N-[(Z)-1H-indol-3-ylmethylideneamino]-2-(naphthalen-2-ylamino)propanamide
CID 136858114
2-(3-chloroanilino)-N-(naphthalen-2-ylmethylideneamino)propanamide
CID 3917683

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-2-(naphthalen-2-ylamino)propanamide?
The IUPAC name of (2R)-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-2-(naphthalen-2-ylamino)propanamide (CID 5397742) is (2R)-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-2-(naphthalen-2-ylamino)propanamide.
What is the SMILES notation for (2R)-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-2-(naphthalen-2-ylamino)propanamide?
The canonical SMILES for (2R)-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-2-(naphthalen-2-ylamino)propanamide is Cc1ccc(/C=N\NC(=O)[C@@H](C)Nc2ccc3ccccc3c2)o1.
What is the InChIKey of (2R)-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-2-(naphthalen-2-ylamino)propanamide?
The InChIKey is BJEHEXWSJOVSDG-FAPYRAKZSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-13-7-10-18(24-13)12-20-22-19(23)14(2)21-17-9-8-15-5-3-4-6-16(15)11-17/h3-12,14,21H,1-2H3,(H,22,23)/b20-12-/t14-/m1/s1.
What are the key properties of (2R)-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-2-(naphthalen-2-ylamino)propanamide?
(2R)-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-2-(naphthalen-2-ylamino)propanamide has a molecular weight of 321.38 g/mol, XLogP of 3.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-2-(naphthalen-2-ylamino)propanamide is sourced from PubChem (CID 5397742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).