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

C16H24N2O2 — CID 81137654

IUPAC2-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]-N-propylacetamide
SMILESCCCNC(=O)CNC1CC(C)(C)Oc2ccccc21
InChIInChI=1S/C16H24N2O2/c1-4-9-17-15(19)11-18-13-10-16(2,3)20-14-8-6-5-7-12(13)14/h5-8,13,18H,4,9-11H2,1-3H3,(H,17,19)
InChIKeyLOZCQJPBYMFZRX-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.40
Rot. Bonds5

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

2-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]-N-propylacetamide (PubChem CID 81137654) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]-N-propylacetamide.

Molecular Properties

Compound Name2-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]-N-propylacetamide
PubChem CID81137654
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name2-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]-N-propylacetamide
SMILESCCCNC(=O)CNC1CC(C)(C)Oc2ccccc21
InChIInChI=1S/C16H24N2O2/c1-4-9-17-15(19)11-18-13-10-16(2,3)20-14-8-6-5-7-12(13)14/h5-8,13,18H,4,9-11H2,1-3H3,(H,17,19)
InChIKeyLOZCQJPBYMFZRX-UHFFFAOYSA-N
XLogP2.40
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]-N,N-diethylacetamide
CID 115712626
ethyl 2-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]acetate
CID 81136675
methyl 3-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]propanoate
CID 81137020
N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-N'-ethyl-N'-propylethane-1,2-diamine
CID 103787781
N-(3-butoxypropyl)-2,2-dimethyl-3,4-dihydrochromen-4-amine
CID 115704436
2-[[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]methyl]phenol
CID 115697977
N'-cyclopropyl-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-N'-methylethane-1,2-diamine
CID 81142613
1-propyl-3-[(4R)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]urea
CID 100748872
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
3-[2-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]ethylsulfanyl]propan-1-ol
CID 103781968
4-amino-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)butanamide;hydrochloride
CID 119331773

Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]-N-propylacetamide?
The IUPAC name of 2-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]-N-propylacetamide (CID 81137654) is 2-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]-N-propylacetamide.
What is the SMILES notation for 2-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]-N-propylacetamide?
The canonical SMILES for 2-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]-N-propylacetamide is CCCNC(=O)CNC1CC(C)(C)Oc2ccccc21.
What is the InChIKey of 2-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]-N-propylacetamide?
The InChIKey is LOZCQJPBYMFZRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-4-9-17-15(19)11-18-13-10-16(2,3)20-14-8-6-5-7-12(13)14/h5-8,13,18H,4,9-11H2,1-3H3,(H,17,19).
What are the key properties of 2-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]-N-propylacetamide?
2-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]-N-propylacetamide has a molecular weight of 276.38 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 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-propylacetamide is sourced from PubChem (CID 81137654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).