(2R)-2-amino-3-methyl-N-[(Z)-[(2R)-2-methyl-2H-chromen-3-yl]methylideneamino]butanamide

C16H21N3O2 — CID 5423072

IUPAC(2R)-2-amino-3-methyl-N-[(Z)-[(2R)-2-methyl-2H-chromen-3-yl]methylideneamino]butanamide
SMILESCC(C)[C@@H](N)C(=O)N/N=C\C1=Cc2ccccc2O[C@@H]1C
InChIInChI=1S/C16H21N3O2/c1-10(2)15(17)16(20)19-18-9-13-8-12-6-4-5-7-14(12)21-11(13)3/h4-11,15H,17H2,1-3H3,(H,19,20)/b18-9-/t11-,15-/m1/s1
InChIKeyRVPSTYIUYMHSPI-CZODWKJRSA-N
MW287.36 g/mol
LogP1.94
Rot. Bonds4

About (2R)-2-amino-3-methyl-N-[(Z)-[(2R)-2-methyl-2H-chromen-3-yl]methylideneamino]butanamide

(2R)-2-amino-3-methyl-N-[(Z)-[(2R)-2-methyl-2H-chromen-3-yl]methylideneamino]butanamide (PubChem CID 5423072) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is (2R)-2-amino-3-methyl-N-[(Z)-[(2R)-2-methyl-2H-chromen-3-yl]methylideneamino]butanamide.

Molecular Properties

Compound Name(2R)-2-amino-3-methyl-N-[(Z)-[(2R)-2-methyl-2H-chromen-3-yl]methylideneamino]butanamide
PubChem CID5423072
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name(2R)-2-amino-3-methyl-N-[(Z)-[(2R)-2-methyl-2H-chromen-3-yl]methylideneamino]butanamide
SMILESCC(C)[C@@H](N)C(=O)N/N=C\C1=Cc2ccccc2O[C@@H]1C
InChIInChI=1S/C16H21N3O2/c1-10(2)15(17)16(20)19-18-9-13-8-12-6-4-5-7-14(12)21-11(13)3/h4-11,15H,17H2,1-3H3,(H,19,20)/b18-9-/t11-,15-/m1/s1
InChIKeyRVPSTYIUYMHSPI-CZODWKJRSA-N
XLogP1.94
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.94
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

2-amino-3-methyl-N-[(2-methyl-2H-chromen-3-yl)methylideneamino]pentanamide
CID 3819738
4-methyl-N-[(2-methyl-2H-chromen-3-yl)methylideneamino]benzenesulfonamide
CID 3773100
(2S)-2-methyl-2H-chromene-3-carbaldehyde
CID 907603
N-[(Z)-[(2S)-2-methyl-2H-chromen-3-yl]methylideneamino]-1H-benzimidazol-2-amine
CID 40537515
(E)-N-(4-fluorophenyl)-3-(2-methyl-2H-chromen-3-yl)prop-2-enamide
CID 6126693
[(2R)-1-[(2E)-2-(2H-chromen-3-ylmethylidene)hydrazinyl]-3-methyl-1-oxobutan-2-yl]azanium chloride
CID 44662181
(E)-2-cyano-3-[(2R)-2-methyl-2H-chromen-3-yl]-N-(4-methylphenyl)prop-2-enamide
CID 749229
2-amino-3-methyl-N-(quinoxalin-6-ylmethylideneamino)butanamide;hydrochloride
CID 73307558
2-amino-3-methyl-N-[(E)-quinoxalin-6-ylmethylideneamino]butanamide;hydrochloride
CID 163331290
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
1-(3-hydroxyphenyl)-3-[(2S)-2-methyl-2H-chromen-3-yl]prop-2-en-1-one
CID 163083554

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-methyl-N-[(Z)-[(2R)-2-methyl-2H-chromen-3-yl]methylideneamino]butanamide?
The IUPAC name of (2R)-2-amino-3-methyl-N-[(Z)-[(2R)-2-methyl-2H-chromen-3-yl]methylideneamino]butanamide (CID 5423072) is (2R)-2-amino-3-methyl-N-[(Z)-[(2R)-2-methyl-2H-chromen-3-yl]methylideneamino]butanamide.
What is the SMILES notation for (2R)-2-amino-3-methyl-N-[(Z)-[(2R)-2-methyl-2H-chromen-3-yl]methylideneamino]butanamide?
The canonical SMILES for (2R)-2-amino-3-methyl-N-[(Z)-[(2R)-2-methyl-2H-chromen-3-yl]methylideneamino]butanamide is CC(C)[C@@H](N)C(=O)N/N=C\C1=Cc2ccccc2O[C@@H]1C.
What is the InChIKey of (2R)-2-amino-3-methyl-N-[(Z)-[(2R)-2-methyl-2H-chromen-3-yl]methylideneamino]butanamide?
The InChIKey is RVPSTYIUYMHSPI-CZODWKJRSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-10(2)15(17)16(20)19-18-9-13-8-12-6-4-5-7-14(12)21-11(13)3/h4-11,15H,17H2,1-3H3,(H,19,20)/b18-9-/t11-,15-/m1/s1.
What are the key properties of (2R)-2-amino-3-methyl-N-[(Z)-[(2R)-2-methyl-2H-chromen-3-yl]methylideneamino]butanamide?
(2R)-2-amino-3-methyl-N-[(Z)-[(2R)-2-methyl-2H-chromen-3-yl]methylideneamino]butanamide has a molecular weight of 287.36 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-methyl-N-[(Z)-[(2R)-2-methyl-2H-chromen-3-yl]methylideneamino]butanamide is sourced from PubChem (CID 5423072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).