methyl 3-(dipropylamino)-3,4-dihydro-2H-chromene-5-carboxylate

C17H25NO3 — CID 19028093

IUPACmethyl 3-(dipropylamino)-3,4-dihydro-2H-chromene-5-carboxylate
SMILESCCCN(CCC)C1COc2cccc(C(=O)OC)c2C1
InChIInChI=1S/C17H25NO3/c1-4-9-18(10-5-2)13-11-15-14(17(19)20-3)7-6-8-16(15)21-12-13/h6-8,13H,4-5,9-12H2,1-3H3
InChIKeyIVLKGOWYAWHDBT-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.90
Rot. Bonds6

About methyl 3-(dipropylamino)-3,4-dihydro-2H-chromene-5-carboxylate

methyl 3-(dipropylamino)-3,4-dihydro-2H-chromene-5-carboxylate (PubChem CID 19028093) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is methyl 3-(dipropylamino)-3,4-dihydro-2H-chromene-5-carboxylate.

Molecular Properties

Compound Namemethyl 3-(dipropylamino)-3,4-dihydro-2H-chromene-5-carboxylate
PubChem CID19028093
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Namemethyl 3-(dipropylamino)-3,4-dihydro-2H-chromene-5-carboxylate
SMILESCCCN(CCC)C1COc2cccc(C(=O)OC)c2C1
InChIInChI=1S/C17H25NO3/c1-4-9-18(10-5-2)13-11-15-14(17(19)20-3)7-6-8-16(15)21-12-13/h6-8,13H,4-5,9-12H2,1-3H3
InChIKeyIVLKGOWYAWHDBT-UHFFFAOYSA-N
XLogP2.90
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-prop-1-en-2-yl-N,N-dipropyl-3,4-dihydro-2H-chromen-3-amine
CID 19028213
[3-(dipropylamino)-3,4-dihydro-2H-chromen-5-yl]-(2-fluorophenyl)methanone
CID 18982031
5-ethoxy-N,N-dipropyl-3,4-dihydro-2H-chromen-3-amine
CID 14330491
[3-(dipropylamino)-3,4-dihydro-2H-chromen-5-yl] 2,2-dimethylpropanoate;hydrobromide
CID 14330508
4-fluoro-N-[4-[(5-methoxy-3,4-dihydro-2H-chromen-3-yl)-propylamino]butyl]benzamide
CID 10319624
5-(5H-1,2-oxazol-2-yl)-N,N-dipropyl-3,4-dihydro-2H-chromen-3-amine
CID 54110827
methyl [3-[propan-2-yl(propyl)amino]-3,4-dihydro-2H-chromen-5-yl]sulfanylformate
CID 57189800
methyl 2,3-dihydro-1-benzofuran-4-carboxylate
CID 130045390
2-[5-[(5-methoxy-3,4-dihydro-2H-chromen-3-yl)-propylamino]pentyl]isoindole-1,3-dione
CID 139959563
5-(4-methyl-1,2-oxazol-5-yl)-N,N-dipropyl-3,4-dihydro-2H-chromen-3-amine
CID 18933170
methyl (3S)-3-amino-2,3-dihydro-1-benzofuran-4-carboxylate
CID 130722266
(3R)-3-(dipropylamino)-8-fluoro-N-methyl-3,4-dihydro-2H-chromene-5-carboxamide;hydrochloride
CID 67703406

Frequently Asked Questions

What is the IUPAC name of methyl 3-(dipropylamino)-3,4-dihydro-2H-chromene-5-carboxylate?
The IUPAC name of methyl 3-(dipropylamino)-3,4-dihydro-2H-chromene-5-carboxylate (CID 19028093) is methyl 3-(dipropylamino)-3,4-dihydro-2H-chromene-5-carboxylate.
What is the SMILES notation for methyl 3-(dipropylamino)-3,4-dihydro-2H-chromene-5-carboxylate?
The canonical SMILES for methyl 3-(dipropylamino)-3,4-dihydro-2H-chromene-5-carboxylate is CCCN(CCC)C1COc2cccc(C(=O)OC)c2C1.
What is the InChIKey of methyl 3-(dipropylamino)-3,4-dihydro-2H-chromene-5-carboxylate?
The InChIKey is IVLKGOWYAWHDBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-4-9-18(10-5-2)13-11-15-14(17(19)20-3)7-6-8-16(15)21-12-13/h6-8,13H,4-5,9-12H2,1-3H3.
What are the key properties of methyl 3-(dipropylamino)-3,4-dihydro-2H-chromene-5-carboxylate?
methyl 3-(dipropylamino)-3,4-dihydro-2H-chromene-5-carboxylate has a molecular weight of 291.39 g/mol, XLogP of 2.90, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(dipropylamino)-3,4-dihydro-2H-chromene-5-carboxylate is sourced from PubChem (CID 19028093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).