N-[6-(1-amino-2-methylpropyl)-2,2-dimethyl-3,4-dihydrochromen-4-yl]acetamide

C17H26N2O2 — CID 82174719

IUPACN-[6-(1-amino-2-methylpropyl)-2,2-dimethyl-3,4-dihydrochromen-4-yl]acetamide
SMILESCC(=O)NC1CC(C)(C)Oc2ccc(C(N)C(C)C)cc21
InChIInChI=1S/C17H26N2O2/c1-10(2)16(18)12-6-7-15-13(8-12)14(19-11(3)20)9-17(4,5)21-15/h6-8,10,14,16H,9,18H2,1-5H3,(H,19,20)
InChIKeyDQXFPXXATSZPJC-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.08
Rot. Bonds3

About N-[6-(1-amino-2-methylpropyl)-2,2-dimethyl-3,4-dihydrochromen-4-yl]acetamide

N-[6-(1-amino-2-methylpropyl)-2,2-dimethyl-3,4-dihydrochromen-4-yl]acetamide (PubChem CID 82174719) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-[6-(1-amino-2-methylpropyl)-2,2-dimethyl-3,4-dihydrochromen-4-yl]acetamide.

Molecular Properties

Compound NameN-[6-(1-amino-2-methylpropyl)-2,2-dimethyl-3,4-dihydrochromen-4-yl]acetamide
PubChem CID82174719
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC NameN-[6-(1-amino-2-methylpropyl)-2,2-dimethyl-3,4-dihydrochromen-4-yl]acetamide
SMILESCC(=O)NC1CC(C)(C)Oc2ccc(C(N)C(C)C)cc21
InChIInChI=1S/C17H26N2O2/c1-10(2)16(18)12-6-7-15-13(8-12)14(19-11(3)20)9-17(4,5)21-15/h6-8,10,14,16H,9,18H2,1-5H3,(H,19,20)
InChIKeyDQXFPXXATSZPJC-UHFFFAOYSA-N
XLogP3.08
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[6-(1-amino-2-methylpropyl)-2,2-dimethyl-3,4-dihydrochromen-4-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[6-(1-amino-2-methylpropyl)-2-ethyl-2-methyl-3,4-dihydrochromen-4-yl]acetamide
CID 82174760
N-[(4S)-6-cyano-2,2-dimethyl-3,4-dihydrochromen-4-yl]acetamide
CID 144805024
N-[6-(1-aminopropyl)-2,2-dimethyl-3,4-dihydrochromen-4-yl]cyclopropanecarboxamide
CID 82174749
(2R)-2-amino-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)propanamide
CID 119331766
N-[6-(1-hydroxybutyl)-2,2-dimethyl-3,4-dihydrochromen-4-yl]propanamide
CID 82174742
N-[(4S)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2-methylpropanamide
CID 95875389
1-(6-chloro-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-propan-2-ylurea
CID 11403735
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
(2S)-2-amino-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-methylpentanamide
CID 119797980
2-(4-methoxyphenoxy)-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)propanamide
CID 132655388
2-amino-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-methoxypropanamide
CID 120992686

Frequently Asked Questions

What is the IUPAC name of N-[6-(1-amino-2-methylpropyl)-2,2-dimethyl-3,4-dihydrochromen-4-yl]acetamide?
The IUPAC name of N-[6-(1-amino-2-methylpropyl)-2,2-dimethyl-3,4-dihydrochromen-4-yl]acetamide (CID 82174719) is N-[6-(1-amino-2-methylpropyl)-2,2-dimethyl-3,4-dihydrochromen-4-yl]acetamide.
What is the SMILES notation for N-[6-(1-amino-2-methylpropyl)-2,2-dimethyl-3,4-dihydrochromen-4-yl]acetamide?
The canonical SMILES for N-[6-(1-amino-2-methylpropyl)-2,2-dimethyl-3,4-dihydrochromen-4-yl]acetamide is CC(=O)NC1CC(C)(C)Oc2ccc(C(N)C(C)C)cc21.
What is the InChIKey of N-[6-(1-amino-2-methylpropyl)-2,2-dimethyl-3,4-dihydrochromen-4-yl]acetamide?
The InChIKey is DQXFPXXATSZPJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-10(2)16(18)12-6-7-15-13(8-12)14(19-11(3)20)9-17(4,5)21-15/h6-8,10,14,16H,9,18H2,1-5H3,(H,19,20).
What are the key properties of N-[6-(1-amino-2-methylpropyl)-2,2-dimethyl-3,4-dihydrochromen-4-yl]acetamide?
N-[6-(1-amino-2-methylpropyl)-2,2-dimethyl-3,4-dihydrochromen-4-yl]acetamide has a molecular weight of 290.41 g/mol, XLogP of 3.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(1-amino-2-methylpropyl)-2,2-dimethyl-3,4-dihydrochromen-4-yl]acetamide is sourced from PubChem (CID 82174719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).