2-[[2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxoethyl]-propylamino]-N-propylacetamide

C19H29N3O3 — CID 87018470

IUPAC2-[[2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxoethyl]-propylamino]-N-propylacetamide
SMILESCCCNC(=O)CN(CCC)CC(=O)NC1CCOc2ccccc21
InChIInChI=1S/C19H29N3O3/c1-3-10-20-18(23)13-22(11-4-2)14-19(24)21-16-9-12-25-17-8-6-5-7-15(16)17/h5-8,16H,3-4,9-14H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyLMWIHRNCAKGUHM-UHFFFAOYSA-N
MW347.46 g/mol
LogP1.86
Rot. Bonds9

About 2-[[2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxoethyl]-propylamino]-N-propylacetamide

2-[[2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxoethyl]-propylamino]-N-propylacetamide (PubChem CID 87018470) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is 2-[[2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxoethyl]-propylamino]-N-propylacetamide.

Molecular Properties

Compound Name2-[[2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxoethyl]-propylamino]-N-propylacetamide
PubChem CID87018470
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Name2-[[2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxoethyl]-propylamino]-N-propylacetamide
SMILESCCCNC(=O)CN(CCC)CC(=O)NC1CCOc2ccccc21
InChIInChI=1S/C19H29N3O3/c1-3-10-20-18(23)13-22(11-4-2)14-19(24)21-16-9-12-25-17-8-6-5-7-15(16)17/h5-8,16H,3-4,9-14H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyLMWIHRNCAKGUHM-UHFFFAOYSA-N
XLogP1.86
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxoethyl]-propylamino]-N-propylacetamide?
The IUPAC name of 2-[[2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxoethyl]-propylamino]-N-propylacetamide (CID 87018470) is 2-[[2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxoethyl]-propylamino]-N-propylacetamide.
What is the SMILES notation for 2-[[2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxoethyl]-propylamino]-N-propylacetamide?
The canonical SMILES for 2-[[2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxoethyl]-propylamino]-N-propylacetamide is CCCNC(=O)CN(CCC)CC(=O)NC1CCOc2ccccc21.
What is the InChIKey of 2-[[2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxoethyl]-propylamino]-N-propylacetamide?
The InChIKey is LMWIHRNCAKGUHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-3-10-20-18(23)13-22(11-4-2)14-19(24)21-16-9-12-25-17-8-6-5-7-15(16)17/h5-8,16H,3-4,9-14H2,1-2H3,(H,20,23)(H,21,24).
What are the key properties of 2-[[2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxoethyl]-propylamino]-N-propylacetamide?
2-[[2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxoethyl]-propylamino]-N-propylacetamide has a molecular weight of 347.46 g/mol, XLogP of 1.86, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxoethyl]-propylamino]-N-propylacetamide is sourced from PubChem (CID 87018470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).