2-amino-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-methoxypropanamide

C15H22N2O3 — CID 120992686

IUPAC2-amino-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-methoxypropanamide
SMILESCOCC(N)C(=O)NC1CC(C)(C)Oc2ccccc21
InChIInChI=1S/C15H22N2O3/c1-15(2)8-12(17-14(18)11(16)9-19-3)10-6-4-5-7-13(10)20-15/h4-7,11-12H,8-9,16H2,1-3H3,(H,17,18)
InChIKeyNUGMZKPUXBLKLR-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.38
Rot. Bonds4

About 2-amino-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-methoxypropanamide

2-amino-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-methoxypropanamide (PubChem CID 120992686) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-amino-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-methoxypropanamide.

Molecular Properties

Compound Name2-amino-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-methoxypropanamide
PubChem CID120992686
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name2-amino-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-methoxypropanamide
SMILESCOCC(N)C(=O)NC1CC(C)(C)Oc2ccccc21
InChIInChI=1S/C15H22N2O3/c1-15(2)8-12(17-14(18)11(16)9-19-3)10-6-4-5-7-13(10)20-15/h4-7,11-12H,8-9,16H2,1-3H3,(H,17,18)
InChIKeyNUGMZKPUXBLKLR-UHFFFAOYSA-N
XLogP1.38
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-methylpentanamide
CID 119797980
(2R)-2-amino-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)propanamide
CID 119331766
3-amino-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-methylbutanamide;hydrochloride
CID 120501370
4-amino-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)pentanamide;hydrochloride
CID 120563166
N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-phenoxypropanamide
CID 132651020
N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-(2-ethylphenoxy)propanamide
CID 132653341
4-amino-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)butanamide;hydrochloride
CID 119331773
2-(4-tert-butylphenoxy)-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)propanamide
CID 132657315
N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-2,2-dimethylpropanamide
CID 56922214
2-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]oxyacetamide
CID 112673304
methyl 3-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]propanoate
CID 81137020
N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-phenylsulfanylpropanamide
CID 132652300

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-methoxypropanamide?
The IUPAC name of 2-amino-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-methoxypropanamide (CID 120992686) is 2-amino-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-methoxypropanamide.
What is the SMILES notation for 2-amino-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-methoxypropanamide?
The canonical SMILES for 2-amino-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-methoxypropanamide is COCC(N)C(=O)NC1CC(C)(C)Oc2ccccc21.
What is the InChIKey of 2-amino-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-methoxypropanamide?
The InChIKey is NUGMZKPUXBLKLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-15(2)8-12(17-14(18)11(16)9-19-3)10-6-4-5-7-13(10)20-15/h4-7,11-12H,8-9,16H2,1-3H3,(H,17,18).
What are the key properties of 2-amino-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-methoxypropanamide?
2-amino-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-methoxypropanamide has a molecular weight of 278.35 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-methoxypropanamide is sourced from PubChem (CID 120992686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).