N-[3-(1,3-benzodioxol-5-ylmethylamino)-3-oxopropyl]-N-cyclopropyl-2-methylfuran-3-carboxamide

C20H22N2O5 — CID 4119534

IUPACN-[3-(1,3-benzodioxol-5-ylmethylamino)-3-oxopropyl]-N-cyclopropyl-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)N(CCC(=O)NCc1ccc2c(c1)OCO2)C1CC1
InChIInChI=1S/C20H22N2O5/c1-13-16(7-9-25-13)20(24)22(15-3-4-15)8-6-19(23)21-11-14-2-5-17-18(10-14)27-12-26-17/h2,5,7,9-10,15H,3-4,6,8,11-12H2,1H3,(H,21,23)
InChIKeyLROQQVUUQXZNRH-UHFFFAOYSA-N
MW370.41 g/mol
LogP2.63
Rot. Bonds7

About N-[3-(1,3-benzodioxol-5-ylmethylamino)-3-oxopropyl]-N-cyclopropyl-2-methylfuran-3-carboxamide

N-[3-(1,3-benzodioxol-5-ylmethylamino)-3-oxopropyl]-N-cyclopropyl-2-methylfuran-3-carboxamide (PubChem CID 4119534) has the molecular formula C20H22N2O5 and a molecular weight of 370.41 g/mol. Its IUPAC name is N-[3-(1,3-benzodioxol-5-ylmethylamino)-3-oxopropyl]-N-cyclopropyl-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[3-(1,3-benzodioxol-5-ylmethylamino)-3-oxopropyl]-N-cyclopropyl-2-methylfuran-3-carboxamide
PubChem CID4119534
Molecular FormulaC20H22N2O5
Molecular Weight370.41 g/mol
Exact Mass370.15
IUPAC NameN-[3-(1,3-benzodioxol-5-ylmethylamino)-3-oxopropyl]-N-cyclopropyl-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)N(CCC(=O)NCc1ccc2c(c1)OCO2)C1CC1
InChIInChI=1S/C20H22N2O5/c1-13-16(7-9-25-13)20(24)22(15-3-4-15)8-6-19(23)21-11-14-2-5-17-18(10-14)27-12-26-17/h2,5,7,9-10,15H,3-4,6,8,11-12H2,1H3,(H,21,23)
InChIKeyLROQQVUUQXZNRH-UHFFFAOYSA-N
XLogP2.63
TPSA81.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(1,3-benzodioxol-5-ylmethylamino)-3-oxopropyl]-N-cyclopropyl-5-methylpyrazine-2-carboxamide
CID 3669246
N-[3-(cyclohexylamino)-3-oxopropyl]-N-cyclopropyl-2-methylfuran-3-carboxamide
CID 816497
N-(1,3-benzodioxol-5-ylmethyl)-3-(dipropylamino)propanamide
CID 109022613
N-[3-(1,3-benzodioxol-5-ylmethylamino)-3-oxopropyl]-2,5-dimethylfuran-3-carboxamide
CID 3357704
(3S)-N-(1,3-benzodioxol-5-ylmethyl)-1-(2-methylfuran-3-carbonyl)piperidine-3-carboxamide
CID 1030627
N-(1,3-benzodioxol-5-ylmethyl)-N'-[(1R,2S,3R)-2,3-dimethylcyclohexyl]butanediamide
CID 7316037
N-(1,3-benzodioxol-5-ylmethyl)-4-hydroxybutanamide
CID 2810954
3-amino-N-(1,3-benzodioxol-5-ylmethyl)propanamide;hydrochloride
CID 51051992
N-(1,3-benzodioxol-5-ylmethyl)-N'-[(5-methylfuran-2-yl)methyl]butanediamide
CID 3397094
3-(1,3-benzodioxol-5-ylmethyl)-1-cyclopropyl-1-(furan-2-ylmethyl)urea
CID 38213350
N-(1,3-benzodioxol-5-ylmethyl)-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide
CID 2529350
3-[acetyl(3-methoxypropyl)amino]-N-(1,3-benzodioxol-5-ylmethyl)propanamide
CID 113117101

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-benzodioxol-5-ylmethylamino)-3-oxopropyl]-N-cyclopropyl-2-methylfuran-3-carboxamide?
The IUPAC name of N-[3-(1,3-benzodioxol-5-ylmethylamino)-3-oxopropyl]-N-cyclopropyl-2-methylfuran-3-carboxamide (CID 4119534) is N-[3-(1,3-benzodioxol-5-ylmethylamino)-3-oxopropyl]-N-cyclopropyl-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-[3-(1,3-benzodioxol-5-ylmethylamino)-3-oxopropyl]-N-cyclopropyl-2-methylfuran-3-carboxamide?
The canonical SMILES for N-[3-(1,3-benzodioxol-5-ylmethylamino)-3-oxopropyl]-N-cyclopropyl-2-methylfuran-3-carboxamide is Cc1occc1C(=O)N(CCC(=O)NCc1ccc2c(c1)OCO2)C1CC1.
What is the InChIKey of N-[3-(1,3-benzodioxol-5-ylmethylamino)-3-oxopropyl]-N-cyclopropyl-2-methylfuran-3-carboxamide?
The InChIKey is LROQQVUUQXZNRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O5/c1-13-16(7-9-25-13)20(24)22(15-3-4-15)8-6-19(23)21-11-14-2-5-17-18(10-14)27-12-26-17/h2,5,7,9-10,15H,3-4,6,8,11-12H2,1H3,(H,21,23).
What are the key properties of N-[3-(1,3-benzodioxol-5-ylmethylamino)-3-oxopropyl]-N-cyclopropyl-2-methylfuran-3-carboxamide?
N-[3-(1,3-benzodioxol-5-ylmethylamino)-3-oxopropyl]-N-cyclopropyl-2-methylfuran-3-carboxamide has a molecular weight of 370.41 g/mol, XLogP of 2.63, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3-benzodioxol-5-ylmethylamino)-3-oxopropyl]-N-cyclopropyl-2-methylfuran-3-carboxamide is sourced from PubChem (CID 4119534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).