N-[2-[1,3-benzodioxol-5-ylmethyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-propan-2-ylpentanamide

C24H32N2O5 — CID 4583809

IUPACN-[2-[1,3-benzodioxol-5-ylmethyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-propan-2-ylpentanamide
SMILESCCCCC(=O)N(CC(=O)N(Cc1ccc2c(c1)OCO2)Cc1ccc(C)o1)C(C)C
InChIInChI=1S/C24H32N2O5/c1-5-6-7-23(27)26(17(2)3)15-24(28)25(14-20-10-8-18(4)31-20)13-19-9-11-21-22(12-19)30-16-29-21/h8-12,17H,5-7,13-16H2,1-4H3
InChIKeyDMQXRXNUZSPJDY-UHFFFAOYSA-N
MW428.53 g/mol
LogP4.27
Rot. Bonds10

About N-[2-[1,3-benzodioxol-5-ylmethyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-propan-2-ylpentanamide

N-[2-[1,3-benzodioxol-5-ylmethyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-propan-2-ylpentanamide (PubChem CID 4583809) has the molecular formula C24H32N2O5 and a molecular weight of 428.53 g/mol. Its IUPAC name is N-[2-[1,3-benzodioxol-5-ylmethyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-propan-2-ylpentanamide.

Molecular Properties

Compound NameN-[2-[1,3-benzodioxol-5-ylmethyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-propan-2-ylpentanamide
PubChem CID4583809
Molecular FormulaC24H32N2O5
Molecular Weight428.53 g/mol
Exact Mass428.23
IUPAC NameN-[2-[1,3-benzodioxol-5-ylmethyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-propan-2-ylpentanamide
SMILESCCCCC(=O)N(CC(=O)N(Cc1ccc2c(c1)OCO2)Cc1ccc(C)o1)C(C)C
InChIInChI=1S/C24H32N2O5/c1-5-6-7-23(27)26(17(2)3)15-24(28)25(14-20-10-8-18(4)31-20)13-19-9-11-21-22(12-19)30-16-29-21/h8-12,17H,5-7,13-16H2,1-4H3
InChIKeyDMQXRXNUZSPJDY-UHFFFAOYSA-N
XLogP4.27
TPSA72.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.53
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-N-[(5-methylfuran-2-yl)methyl]hexanamide
CID 42773300
N-[2-[1,3-benzodioxol-5-ylmethyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-4-methyl-N-propan-2-ylbenzamide
CID 4252861
N-[2-[1,3-benzodioxol-5-ylmethyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-4-bromo-N-propan-2-ylbenzamide
CID 5186696
N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-bromophenyl)carbamoyl-propan-2-ylamino]-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 5054943
N-(1,3-benzodioxol-5-ylmethyl)-2-[[2,6-di(propan-2-yl)phenyl]carbamoyl-propan-2-ylamino]-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 5129283
N-[2-[1,3-benzodioxol-5-ylmethyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)heptanamide
CID 4121422
N-[2-[1,3-benzodioxol-5-ylmethyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-propan-2-yl-3,5-bis(trifluoromethyl)benzamide
CID 5186694
(2S)-N-[2-[1,3-benzodioxol-5-ylmethyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-2-ethyl-N-(2-methylpropyl)hexanamide
CID 93109891
methyl 5-[[2-[1,3-benzodioxol-5-ylmethyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-cyclopropylamino]-5-oxopentanoate
CID 4209299
N-(1,3-benzodioxol-5-ylmethyl)-N-(furan-2-ylmethyl)pentanamide
CID 42724557
methyl 5-[[2-[1,3-benzodioxol-5-ylmethyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-prop-2-enylamino]-5-oxopentanoate
CID 3388861
N-(1,3-benzodioxol-5-ylmethyl)-2-[(2,6-dimethylphenyl)carbamoyl-propylamino]-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 3285721

Frequently Asked Questions

What is the IUPAC name of N-[2-[1,3-benzodioxol-5-ylmethyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-propan-2-ylpentanamide?
The IUPAC name of N-[2-[1,3-benzodioxol-5-ylmethyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-propan-2-ylpentanamide (CID 4583809) is N-[2-[1,3-benzodioxol-5-ylmethyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-propan-2-ylpentanamide.
What is the SMILES notation for N-[2-[1,3-benzodioxol-5-ylmethyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-propan-2-ylpentanamide?
The canonical SMILES for N-[2-[1,3-benzodioxol-5-ylmethyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-propan-2-ylpentanamide is CCCCC(=O)N(CC(=O)N(Cc1ccc2c(c1)OCO2)Cc1ccc(C)o1)C(C)C.
What is the InChIKey of N-[2-[1,3-benzodioxol-5-ylmethyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-propan-2-ylpentanamide?
The InChIKey is DMQXRXNUZSPJDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O5/c1-5-6-7-23(27)26(17(2)3)15-24(28)25(14-20-10-8-18(4)31-20)13-19-9-11-21-22(12-19)30-16-29-21/h8-12,17H,5-7,13-16H2,1-4H3.
What are the key properties of N-[2-[1,3-benzodioxol-5-ylmethyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-propan-2-ylpentanamide?
N-[2-[1,3-benzodioxol-5-ylmethyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-propan-2-ylpentanamide has a molecular weight of 428.53 g/mol, XLogP of 4.27, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1,3-benzodioxol-5-ylmethyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-propan-2-ylpentanamide is sourced from PubChem (CID 4583809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).