2-amino-3-methyl-N-[(2-methyl-2H-chromen-3-yl)methylideneamino]pentanamide

C17H23N3O2 — CID 3819738

IUPAC2-amino-3-methyl-N-[(2-methyl-2H-chromen-3-yl)methylideneamino]pentanamide
SMILESCCC(C)C(N)C(=O)NN=CC1=Cc2ccccc2OC1C
InChIInChI=1S/C17H23N3O2/c1-4-11(2)16(18)17(21)20-19-10-14-9-13-7-5-6-8-15(13)22-12(14)3/h5-12,16H,4,18H2,1-3H3,(H,20,21)
InChIKeyJJXHRNROVULLQT-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.33
Rot. Bonds5

About 2-amino-3-methyl-N-[(2-methyl-2H-chromen-3-yl)methylideneamino]pentanamide

2-amino-3-methyl-N-[(2-methyl-2H-chromen-3-yl)methylideneamino]pentanamide (PubChem CID 3819738) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 2-amino-3-methyl-N-[(2-methyl-2H-chromen-3-yl)methylideneamino]pentanamide.

Molecular Properties

Compound Name2-amino-3-methyl-N-[(2-methyl-2H-chromen-3-yl)methylideneamino]pentanamide
PubChem CID3819738
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name2-amino-3-methyl-N-[(2-methyl-2H-chromen-3-yl)methylideneamino]pentanamide
SMILESCCC(C)C(N)C(=O)NN=CC1=Cc2ccccc2OC1C
InChIInChI=1S/C17H23N3O2/c1-4-11(2)16(18)17(21)20-19-10-14-9-13-7-5-6-8-15(13)22-12(14)3/h5-12,16H,4,18H2,1-3H3,(H,20,21)
InChIKeyJJXHRNROVULLQT-UHFFFAOYSA-N
XLogP2.33
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.33
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

(2R)-2-amino-3-methyl-N-[(Z)-[(2R)-2-methyl-2H-chromen-3-yl]methylideneamino]butanamide
CID 5423072
(2S,3S)-2-amino-3-methyl-N-[(Z)-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)methylideneamino]pentanamide
CID 136732583
(2S)-2-amino-3-methyl-N-[(E)-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)methylideneamino]pentanamide
CID 135651544
(2S)-2-amino-N-(4-tert-butylphenyl)-3-methylpentanamide
CID 22690860
2-amino-N-(2-ethylphenyl)-3-methylpentanamide
CID 24700876
2-amino-3-methyl-N-(1-phenylethyl)pentanamide
CID 21475942
(2S,3S)-2-amino-3-methyl-N-[(1R)-1-phenylethyl]pentanamide
CID 11565273
2-amino-3-methyl-N-(2-methyl-4-phenylbutan-2-yl)pentanamide
CID 115753423
2-amino-N-[2-(diethylaminomethyl)phenyl]-3-methylpentanamide
CID 43712488
tert-butyl N-[(2R)-1-[(2E)-2-(2H-chromen-3-ylmethylidene)hydrazinyl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 46859450
ethane;2-methyl-2H-chromene-3-carboxylic acid
CID 91304303
2-amino-N-(4-butan-2-ylphenyl)-3-methylpentanamide
CID 43702138

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-N-[(2-methyl-2H-chromen-3-yl)methylideneamino]pentanamide?
The IUPAC name of 2-amino-3-methyl-N-[(2-methyl-2H-chromen-3-yl)methylideneamino]pentanamide (CID 3819738) is 2-amino-3-methyl-N-[(2-methyl-2H-chromen-3-yl)methylideneamino]pentanamide.
What is the SMILES notation for 2-amino-3-methyl-N-[(2-methyl-2H-chromen-3-yl)methylideneamino]pentanamide?
The canonical SMILES for 2-amino-3-methyl-N-[(2-methyl-2H-chromen-3-yl)methylideneamino]pentanamide is CCC(C)C(N)C(=O)NN=CC1=Cc2ccccc2OC1C.
What is the InChIKey of 2-amino-3-methyl-N-[(2-methyl-2H-chromen-3-yl)methylideneamino]pentanamide?
The InChIKey is JJXHRNROVULLQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-4-11(2)16(18)17(21)20-19-10-14-9-13-7-5-6-8-15(13)22-12(14)3/h5-12,16H,4,18H2,1-3H3,(H,20,21).
What are the key properties of 2-amino-3-methyl-N-[(2-methyl-2H-chromen-3-yl)methylideneamino]pentanamide?
2-amino-3-methyl-N-[(2-methyl-2H-chromen-3-yl)methylideneamino]pentanamide has a molecular weight of 301.39 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-N-[(2-methyl-2H-chromen-3-yl)methylideneamino]pentanamide is sourced from PubChem (CID 3819738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).