2-amino-4-methyl-N-(4-methyl-2-oxochromen-7-yl)pentanamide

C16H20N2O3 — CID 5141464

IUPAC2-amino-4-methyl-N-(4-methyl-2-oxochromen-7-yl)pentanamide
SMILESCc1cc(=O)oc2cc(NC(=O)C(N)CC(C)C)ccc12
InChIInChI=1S/C16H20N2O3/c1-9(2)6-13(17)16(20)18-11-4-5-12-10(3)7-15(19)21-14(12)8-11/h4-5,7-9,13H,6,17H2,1-3H3,(H,18,20)
InChIKeyGTAAIHRZANUVJS-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.41
Rot. Bonds4

About 2-amino-4-methyl-N-(4-methyl-2-oxochromen-7-yl)pentanamide

2-amino-4-methyl-N-(4-methyl-2-oxochromen-7-yl)pentanamide (PubChem CID 5141464) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-amino-4-methyl-N-(4-methyl-2-oxochromen-7-yl)pentanamide.

Molecular Properties

Compound Name2-amino-4-methyl-N-(4-methyl-2-oxochromen-7-yl)pentanamide
PubChem CID5141464
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name2-amino-4-methyl-N-(4-methyl-2-oxochromen-7-yl)pentanamide
SMILESCc1cc(=O)oc2cc(NC(=O)C(N)CC(C)C)ccc12
InChIInChI=1S/C16H20N2O3/c1-9(2)6-13(17)16(20)18-11-4-5-12-10(3)7-15(19)21-14(12)8-11/h4-5,7-9,13H,6,17H2,1-3H3,(H,18,20)
InChIKeyGTAAIHRZANUVJS-UHFFFAOYSA-N
XLogP2.41
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-N-(4-methyl-2-oxochromen-7-yl)-4-sulfanylbutanamide
CID 71774819
2,5-diamino-N-(4-methyl-2-oxochromen-7-yl)pentanamide
CID 74319438
(2S)-2,5-diamino-N-(4-methyl-2-oxochromen-7-yl)pentanamide;hydrochloride
CID 129319301
tert-butyl (3R)-3-amino-4-[(4-methyl-2-oxochromen-7-yl)amino]-4-oxobutanoate
CID 122173666
(2R)-2-amino-N-[(2R)-1-[[(2R)-3-(4-hydroxyphenyl)-1-[(4-methyl-2-oxochromen-7-yl)amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-4-methylpentanamide
CID 171395623
(2S)-2-amino-N-[(2S)-1-[[(2S)-3-(4-hydroxyphenyl)-1-[(4-methyl-2-oxochromen-7-yl)amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-4-methylpentanamide
CID 71771371
benzyl (3S)-3-amino-4-[(4-methyl-2-oxochromen-7-yl)amino]-4-oxobutanoate;hydrochloride
CID 74889748
(2S)-2-amino-N-(4-methyl-2-oxochromen-7-yl)-N'-tritylbutanediamide
CID 102005856
(2S)-2-amino-N-[(2S)-5-(diaminomethylideneamino)-1-[[(2S)-1-[[(2S)-5-(diaminomethylideneamino)-1-[(4-methyl-2-oxochromen-7-yl)amino]-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxopentan-2-yl]-4-methylpentanamide
CID 175743184
2-amino-N-(4-methyl-2-oxochromen-7-yl)acetamide
CID 688482
7-amino-4-methylchromen-2-one;bis(2-amino-4-methylpentanoic acid)
CID 174593861
7-amino-4-methylchromen-2-one;(2S)-2-amino-4-methylpentanoic acid
CID 87290425

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methyl-N-(4-methyl-2-oxochromen-7-yl)pentanamide?
The IUPAC name of 2-amino-4-methyl-N-(4-methyl-2-oxochromen-7-yl)pentanamide (CID 5141464) is 2-amino-4-methyl-N-(4-methyl-2-oxochromen-7-yl)pentanamide.
What is the SMILES notation for 2-amino-4-methyl-N-(4-methyl-2-oxochromen-7-yl)pentanamide?
The canonical SMILES for 2-amino-4-methyl-N-(4-methyl-2-oxochromen-7-yl)pentanamide is Cc1cc(=O)oc2cc(NC(=O)C(N)CC(C)C)ccc12.
What is the InChIKey of 2-amino-4-methyl-N-(4-methyl-2-oxochromen-7-yl)pentanamide?
The InChIKey is GTAAIHRZANUVJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-9(2)6-13(17)16(20)18-11-4-5-12-10(3)7-15(19)21-14(12)8-11/h4-5,7-9,13H,6,17H2,1-3H3,(H,18,20).
What are the key properties of 2-amino-4-methyl-N-(4-methyl-2-oxochromen-7-yl)pentanamide?
2-amino-4-methyl-N-(4-methyl-2-oxochromen-7-yl)pentanamide has a molecular weight of 288.35 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methyl-N-(4-methyl-2-oxochromen-7-yl)pentanamide is sourced from PubChem (CID 5141464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).