2-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]-N,N-diethylacetamide

C17H26N2O2 — CID 115712626

IUPAC2-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CNC1CC(C)(C)Oc2ccccc21
InChIInChI=1S/C17H26N2O2/c1-5-19(6-2)16(20)12-18-14-11-17(3,4)21-15-10-8-7-9-13(14)15/h7-10,14,18H,5-6,11-12H2,1-4H3
InChIKeyBSIJBDPSJCOUES-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.75
Rot. Bonds5

About 2-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]-N,N-diethylacetamide

2-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]-N,N-diethylacetamide (PubChem CID 115712626) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]-N,N-diethylacetamide
PubChem CID115712626
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name2-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CNC1CC(C)(C)Oc2ccccc21
InChIInChI=1S/C17H26N2O2/c1-5-19(6-2)16(20)12-18-14-11-17(3,4)21-15-10-8-7-9-13(14)15/h7-10,14,18H,5-6,11-12H2,1-4H3
InChIKeyBSIJBDPSJCOUES-UHFFFAOYSA-N
XLogP2.75
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]acetate
CID 81136675
2-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]-N-propylacetamide
CID 81137654
methyl 3-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]propanoate
CID 81137020
2-[[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]methyl]phenol
CID 115697977
N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-N'-ethyl-N'-propylethane-1,2-diamine
CID 103787781
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
N-(2-methoxy-2-methylpropyl)-2,2-dimethyl-3,4-dihydrochromen-4-amine
CID 115728687
4-amino-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)pentanamide;hydrochloride
CID 120563166
(2R)-2-amino-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)propanamide
CID 119331766
N'-cyclopropyl-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-N'-methylethane-1,2-diamine
CID 81142613
N-[(4S)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3,4-diethoxybenzamide
CID 100535222

Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]-N,N-diethylacetamide?
The IUPAC name of 2-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]-N,N-diethylacetamide (CID 115712626) is 2-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]-N,N-diethylacetamide.
What is the SMILES notation for 2-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]-N,N-diethylacetamide?
The canonical SMILES for 2-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]-N,N-diethylacetamide is CCN(CC)C(=O)CNC1CC(C)(C)Oc2ccccc21.
What is the InChIKey of 2-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]-N,N-diethylacetamide?
The InChIKey is BSIJBDPSJCOUES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-5-19(6-2)16(20)12-18-14-11-17(3,4)21-15-10-8-7-9-13(14)15/h7-10,14,18H,5-6,11-12H2,1-4H3.
What are the key properties of 2-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]-N,N-diethylacetamide?
2-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]-N,N-diethylacetamide has a molecular weight of 290.41 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]-N,N-diethylacetamide is sourced from PubChem (CID 115712626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).