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

C17H26N2O2 — CID 119797980

IUPAC(2S)-2-amino-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-methylpentanamide
SMILESCC(C)C[C@H](N)C(=O)NC1CC(C)(C)Oc2ccccc21
InChIInChI=1S/C17H26N2O2/c1-11(2)9-13(18)16(20)19-14-10-17(3,4)21-15-8-6-5-7-12(14)15/h5-8,11,13-14H,9-10,18H2,1-4H3,(H,19,20)/t13-,14?/m0/s1
InChIKeyNMENMQBXNKRMKC-LSLKUGRBSA-N
MW290.41 g/mol
LogP2.78
Rot. Bonds4

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

(2S)-2-amino-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-methylpentanamide (PubChem CID 119797980) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is (2S)-2-amino-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-methylpentanamide
PubChem CID119797980
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name(2S)-2-amino-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-methylpentanamide
SMILESCC(C)C[C@H](N)C(=O)NC1CC(C)(C)Oc2ccccc21
InChIInChI=1S/C17H26N2O2/c1-11(2)9-13(18)16(20)19-14-10-17(3,4)21-15-8-6-5-7-12(14)15/h5-8,11,13-14H,9-10,18H2,1-4H3,(H,19,20)/t13-,14?/m0/s1
InChIKeyNMENMQBXNKRMKC-LSLKUGRBSA-N
XLogP2.78
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)propanamide
CID 119331766
2-amino-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-methoxypropanamide
CID 120992686
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
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
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-(4-ethyl-N-methylsulfonylanilino)propanamide
CID 132668988
(2S)-2-amino-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-methylpentanamide
CID 107222220

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-methylpentanamide?
The IUPAC name of (2S)-2-amino-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-methylpentanamide (CID 119797980) is (2S)-2-amino-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-methylpentanamide.
What is the SMILES notation for (2S)-2-amino-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-methylpentanamide?
The canonical SMILES for (2S)-2-amino-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-methylpentanamide is CC(C)C[C@H](N)C(=O)NC1CC(C)(C)Oc2ccccc21.
What is the InChIKey of (2S)-2-amino-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-methylpentanamide?
The InChIKey is NMENMQBXNKRMKC-LSLKUGRBSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-11(2)9-13(18)16(20)19-14-10-17(3,4)21-15-8-6-5-7-12(14)15/h5-8,11,13-14H,9-10,18H2,1-4H3,(H,19,20)/t13-,14?/m0/s1.
What are the key properties of (2S)-2-amino-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-methylpentanamide?
(2S)-2-amino-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-methylpentanamide has a molecular weight of 290.41 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-methylpentanamide is sourced from PubChem (CID 119797980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).