N-[2-(dipropylamino)ethyl]-4-hydroxy-8-methyl-2-oxochromene-3-carboxamide;hydrochloride

C19H27ClN2O4 — CID 54718447

IUPACN-[2-(dipropylamino)ethyl]-4-hydroxy-8-methyl-2-oxochromene-3-carboxamide;hydrochloride
SMILESCCCN(CCC)CCNC(=O)c1c(O)c2cccc(C)c2oc1=O.Cl
InChIInChI=1S/C19H26N2O4.ClH/c1-4-10-21(11-5-2)12-9-20-18(23)15-16(22)14-8-6-7-13(3)17(14)25-19(15)24;/h6-8,22H,4-5,9-12H2,1-3H3,(H,20,23);1H
InChIKeyOFCVNHNQRVQPQW-UHFFFAOYSA-N
MW382.89 g/mol
LogP3.08
Rot. Bonds8

About N-[2-(dipropylamino)ethyl]-4-hydroxy-8-methyl-2-oxochromene-3-carboxamide;hydrochloride

N-[2-(dipropylamino)ethyl]-4-hydroxy-8-methyl-2-oxochromene-3-carboxamide;hydrochloride (PubChem CID 54718447) has the molecular formula C19H27ClN2O4 and a molecular weight of 382.89 g/mol. Its IUPAC name is N-[2-(dipropylamino)ethyl]-4-hydroxy-8-methyl-2-oxochromene-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(dipropylamino)ethyl]-4-hydroxy-8-methyl-2-oxochromene-3-carboxamide;hydrochloride
PubChem CID54718447
Molecular FormulaC19H27ClN2O4
Molecular Weight382.89 g/mol
Exact Mass382.17
IUPAC NameN-[2-(dipropylamino)ethyl]-4-hydroxy-8-methyl-2-oxochromene-3-carboxamide;hydrochloride
SMILESCCCN(CCC)CCNC(=O)c1c(O)c2cccc(C)c2oc1=O.Cl
InChIInChI=1S/C19H26N2O4.ClH/c1-4-10-21(11-5-2)12-9-20-18(23)15-16(22)14-8-6-7-13(3)17(14)25-19(15)24;/h6-8,22H,4-5,9-12H2,1-3H3,(H,20,23);1H
InChIKeyOFCVNHNQRVQPQW-UHFFFAOYSA-N
XLogP3.08
TPSA82.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.89
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dipropylamino)ethyl]-4-hydroxy-8-methyl-2-oxochromene-3-carboxamide;hydrochloride?
The IUPAC name of N-[2-(dipropylamino)ethyl]-4-hydroxy-8-methyl-2-oxochromene-3-carboxamide;hydrochloride (CID 54718447) is N-[2-(dipropylamino)ethyl]-4-hydroxy-8-methyl-2-oxochromene-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(dipropylamino)ethyl]-4-hydroxy-8-methyl-2-oxochromene-3-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(dipropylamino)ethyl]-4-hydroxy-8-methyl-2-oxochromene-3-carboxamide;hydrochloride is CCCN(CCC)CCNC(=O)c1c(O)c2cccc(C)c2oc1=O.Cl.
What is the InChIKey of N-[2-(dipropylamino)ethyl]-4-hydroxy-8-methyl-2-oxochromene-3-carboxamide;hydrochloride?
The InChIKey is OFCVNHNQRVQPQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O4.ClH/c1-4-10-21(11-5-2)12-9-20-18(23)15-16(22)14-8-6-7-13(3)17(14)25-19(15)24;/h6-8,22H,4-5,9-12H2,1-3H3,(H,20,23);1H.
What are the key properties of N-[2-(dipropylamino)ethyl]-4-hydroxy-8-methyl-2-oxochromene-3-carboxamide;hydrochloride?
N-[2-(dipropylamino)ethyl]-4-hydroxy-8-methyl-2-oxochromene-3-carboxamide;hydrochloride has a molecular weight of 382.89 g/mol, XLogP of 3.08, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dipropylamino)ethyl]-4-hydroxy-8-methyl-2-oxochromene-3-carboxamide;hydrochloride is sourced from PubChem (CID 54718447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).