N-[7-[3-(dipropylamino)propyl]-8-(methoxymethoxy)-2-oxochromen-3-yl]acetamide

C22H32N2O5 — CID 150302298

IUPACN-[7-[3-(dipropylamino)propyl]-8-(methoxymethoxy)-2-oxochromen-3-yl]acetamide
SMILESCCCN(CCC)CCCc1ccc2cc(NC(C)=O)c(=O)oc2c1OCOC
InChIInChI=1S/C22H32N2O5/c1-5-11-24(12-6-2)13-7-8-17-9-10-18-14-19(23-16(3)25)22(26)29-21(18)20(17)28-15-27-4/h9-10,14H,5-8,11-13,15H2,1-4H3,(H,23,25)
InChIKeyGJWDPKYIUPOBGK-UHFFFAOYSA-N
MW404.51 g/mol
LogP3.79
Rot. Bonds12

About N-[7-[3-(dipropylamino)propyl]-8-(methoxymethoxy)-2-oxochromen-3-yl]acetamide

N-[7-[3-(dipropylamino)propyl]-8-(methoxymethoxy)-2-oxochromen-3-yl]acetamide (PubChem CID 150302298) has the molecular formula C22H32N2O5 and a molecular weight of 404.51 g/mol. Its IUPAC name is N-[7-[3-(dipropylamino)propyl]-8-(methoxymethoxy)-2-oxochromen-3-yl]acetamide.

Molecular Properties

Compound NameN-[7-[3-(dipropylamino)propyl]-8-(methoxymethoxy)-2-oxochromen-3-yl]acetamide
PubChem CID150302298
Molecular FormulaC22H32N2O5
Molecular Weight404.51 g/mol
Exact Mass404.23
IUPAC NameN-[7-[3-(dipropylamino)propyl]-8-(methoxymethoxy)-2-oxochromen-3-yl]acetamide
SMILESCCCN(CCC)CCCc1ccc2cc(NC(C)=O)c(=O)oc2c1OCOC
InChIInChI=1S/C22H32N2O5/c1-5-11-24(12-6-2)13-7-8-17-9-10-18-14-19(23-16(3)25)22(26)29-21(18)20(17)28-15-27-4/h9-10,14H,5-8,11-13,15H2,1-4H3,(H,23,25)
InChIKeyGJWDPKYIUPOBGK-UHFFFAOYSA-N
XLogP3.79
TPSA81.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-(2-oxo-8-prop-2-enylchromen-3-yl)acetamide
CID 763579
N-[7-[3-(dimethylamino)propoxy]-8-methyl-2-oxochromen-3-yl]-3-[5-[[7-[3-(dimethylamino)propoxy]-8-methyl-2-oxochromen-3-yl]carbamoyl]-2-methoxyphenyl]-4-methoxybenzamide
CID 54577222
3-(4-ethyl-2,3-difluorophenyl)-N,N-dipropylpropan-1-amine
CID 130243080
(3-acetamido-2-oxochromen-8-yl) benzenesulfonate
CID 90088357
benzyl N-[7-[2-(dimethylamino)ethoxy]-8-methyl-2-oxochromen-3-yl]carbamate
CID 87265987
CID 66941347
CID 66941347
N-[2-[4-(methoxymethoxy)-3,5-dimethyl-6-oxopyran-2-yl]-1-benzofuran-5-yl]acetamide
CID 18505489
(Z)-2-amino-3-[(4-methoxyphenyl)methylamino]-N-(8-methyl-7-octan-4-yloxy-2-oxochromen-3-yl)prop-2-enamide;ethane
CID 144978711
N-[7-[2-(dimethylamino)ethoxy]-8-methyl-2-oxochromen-3-yl]-4-hydroxy-3-(3-methylbut-2-enyl)benzamide
CID 46873405
3-butyl-8-methylchromen-2-one
CID 162411292
N-(2-oxo-8-piperazin-1-ylchromen-3-yl)acetamide;hydrochloride
CID 139662921
3-butyl-4,8-dimethyl-7-(2-oxopropoxy)chromen-2-one
CID 4575609

Frequently Asked Questions

What is the IUPAC name of N-[7-[3-(dipropylamino)propyl]-8-(methoxymethoxy)-2-oxochromen-3-yl]acetamide?
The IUPAC name of N-[7-[3-(dipropylamino)propyl]-8-(methoxymethoxy)-2-oxochromen-3-yl]acetamide (CID 150302298) is N-[7-[3-(dipropylamino)propyl]-8-(methoxymethoxy)-2-oxochromen-3-yl]acetamide.
What is the SMILES notation for N-[7-[3-(dipropylamino)propyl]-8-(methoxymethoxy)-2-oxochromen-3-yl]acetamide?
The canonical SMILES for N-[7-[3-(dipropylamino)propyl]-8-(methoxymethoxy)-2-oxochromen-3-yl]acetamide is CCCN(CCC)CCCc1ccc2cc(NC(C)=O)c(=O)oc2c1OCOC.
What is the InChIKey of N-[7-[3-(dipropylamino)propyl]-8-(methoxymethoxy)-2-oxochromen-3-yl]acetamide?
The InChIKey is GJWDPKYIUPOBGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O5/c1-5-11-24(12-6-2)13-7-8-17-9-10-18-14-19(23-16(3)25)22(26)29-21(18)20(17)28-15-27-4/h9-10,14H,5-8,11-13,15H2,1-4H3,(H,23,25).
What are the key properties of N-[7-[3-(dipropylamino)propyl]-8-(methoxymethoxy)-2-oxochromen-3-yl]acetamide?
N-[7-[3-(dipropylamino)propyl]-8-(methoxymethoxy)-2-oxochromen-3-yl]acetamide has a molecular weight of 404.51 g/mol, XLogP of 3.79, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-[3-(dipropylamino)propyl]-8-(methoxymethoxy)-2-oxochromen-3-yl]acetamide is sourced from PubChem (CID 150302298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).