methyl 2-[3,4-dihydro-2H-chromene-4-carbonyl(propyl)amino]acetate

C16H21NO4 — CID 63237160

IUPACmethyl 2-[3,4-dihydro-2H-chromene-4-carbonyl(propyl)amino]acetate
SMILESCCCN(CC(=O)OC)C(=O)C1CCOc2ccccc21
InChIInChI=1S/C16H21NO4/c1-3-9-17(11-15(18)20-2)16(19)13-8-10-21-14-7-5-4-6-12(13)14/h4-7,13H,3,8-11H2,1-2H3
InChIKeyCHZRYOQVSAVBFZ-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.96
Rot. Bonds5

About methyl 2-[3,4-dihydro-2H-chromene-4-carbonyl(propyl)amino]acetate

methyl 2-[3,4-dihydro-2H-chromene-4-carbonyl(propyl)amino]acetate (PubChem CID 63237160) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is methyl 2-[3,4-dihydro-2H-chromene-4-carbonyl(propyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[3,4-dihydro-2H-chromene-4-carbonyl(propyl)amino]acetate
PubChem CID63237160
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Namemethyl 2-[3,4-dihydro-2H-chromene-4-carbonyl(propyl)amino]acetate
SMILESCCCN(CC(=O)OC)C(=O)C1CCOc2ccccc21
InChIInChI=1S/C16H21NO4/c1-3-9-17(11-15(18)20-2)16(19)13-8-10-21-14-7-5-4-6-12(13)14/h4-7,13H,3,8-11H2,1-2H3
InChIKeyCHZRYOQVSAVBFZ-UHFFFAOYSA-N
XLogP1.96
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chloroethyl)-N-propyl-3,4-dihydro-2H-chromene-4-carboxamide
CID 63709229
N-(cyanomethyl)-N-propyl-3,4-dihydro-2H-chromene-4-carboxamide
CID 63184213
2-[3,4-dihydro-2H-chromene-4-carbonyl(ethyl)amino]acetic acid
CID 63709185
N-ethyl-N-(3-hydroxypropyl)-3,4-dihydro-2H-chromene-4-carboxamide
CID 115772095
N-piperidin-4-yl-N-propyl-3,4-dihydro-2H-chromene-4-carboxamide;hydrochloride
CID 119825491
3-[3,4-dihydro-2H-chromene-4-carbonyl(oxolan-2-ylmethyl)amino]propanoic acid
CID 119209810
2-[3,4-dihydro-2H-chromene-4-carbonyl(2-methylpropyl)amino]acetic acid
CID 63708820
2-[3,4-dihydro-2H-chromen-4-ylcarbamoyl(propyl)amino]acetic acid
CID 62366625
N-(3-amino-2,2-dimethylpropyl)-N-ethyl-3,4-dihydro-2H-chromene-4-carboxamide
CID 79663387
N-(3-aminopropyl)-N-(2-methylpropyl)-3,4-dihydro-2H-chromene-4-carboxamide
CID 63708282
N-(2-aminoethyl)-N-(2,2,2-trifluoroethyl)-3,4-dihydro-2H-chromene-4-carboxamide
CID 107493571
1-(3,4-dihydro-2H-chromen-4-yl)-2-methylpentan-1-one
CID 55227243

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3,4-dihydro-2H-chromene-4-carbonyl(propyl)amino]acetate?
The IUPAC name of methyl 2-[3,4-dihydro-2H-chromene-4-carbonyl(propyl)amino]acetate (CID 63237160) is methyl 2-[3,4-dihydro-2H-chromene-4-carbonyl(propyl)amino]acetate.
What is the SMILES notation for methyl 2-[3,4-dihydro-2H-chromene-4-carbonyl(propyl)amino]acetate?
The canonical SMILES for methyl 2-[3,4-dihydro-2H-chromene-4-carbonyl(propyl)amino]acetate is CCCN(CC(=O)OC)C(=O)C1CCOc2ccccc21.
What is the InChIKey of methyl 2-[3,4-dihydro-2H-chromene-4-carbonyl(propyl)amino]acetate?
The InChIKey is CHZRYOQVSAVBFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO4/c1-3-9-17(11-15(18)20-2)16(19)13-8-10-21-14-7-5-4-6-12(13)14/h4-7,13H,3,8-11H2,1-2H3.
What are the key properties of methyl 2-[3,4-dihydro-2H-chromene-4-carbonyl(propyl)amino]acetate?
methyl 2-[3,4-dihydro-2H-chromene-4-carbonyl(propyl)amino]acetate has a molecular weight of 291.35 g/mol, XLogP of 1.96, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3,4-dihydro-2H-chromene-4-carbonyl(propyl)amino]acetate is sourced from PubChem (CID 63237160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).