N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-cyclopropyl-3,5-dimethoxybenzamide

C27H30N2O5 — CID 1058909

IUPACN-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-cyclopropyl-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)N(CC(=O)N(Cc2ccccc2)Cc2ccc(C)o2)C2CC2)c1
InChIInChI=1S/C27H30N2O5/c1-19-9-12-23(34-19)17-28(16-20-7-5-4-6-8-20)26(30)18-29(22-10-11-22)27(31)21-13-24(32-2)15-25(14-21)33-3/h4-9,12-15,22H,10-11,16-18H2,1-3H3
InChIKeyLAQXFXVIALJXTJ-UHFFFAOYSA-N
MW462.55 g/mol
LogP4.44
Rot. Bonds10

About N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-cyclopropyl-3,5-dimethoxybenzamide

N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-cyclopropyl-3,5-dimethoxybenzamide (PubChem CID 1058909) has the molecular formula C27H30N2O5 and a molecular weight of 462.55 g/mol. Its IUPAC name is N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-cyclopropyl-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-cyclopropyl-3,5-dimethoxybenzamide
PubChem CID1058909
Molecular FormulaC27H30N2O5
Molecular Weight462.55 g/mol
Exact Mass462.22
IUPAC NameN-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-cyclopropyl-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)N(CC(=O)N(Cc2ccccc2)Cc2ccc(C)o2)C2CC2)c1
InChIInChI=1S/C27H30N2O5/c1-19-9-12-23(34-19)17-28(16-20-7-5-4-6-8-20)26(30)18-29(22-10-11-22)27(31)21-13-24(32-2)15-25(14-21)33-3/h4-9,12-15,22H,10-11,16-18H2,1-3H3
InChIKeyLAQXFXVIALJXTJ-UHFFFAOYSA-N
XLogP4.44
TPSA72.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.55
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-cyclopropyl-4-methylbenzamide
CID 5041484
N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-4-butoxy-N-cyclopropylbenzamide
CID 4274304
N-[2-[1,3-benzodioxol-5-ylmethyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-cyclopropyl-3-methoxybenzamide
CID 1058331
N-benzyl-2-[cyclopropyl-(2-phenylmethoxyacetyl)amino]-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 3884188
N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-cyclopropylcyclobutanecarboxamide
CID 1058915
N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-cyclopropyloctanamide
CID 3882073
N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-cyclopropyl-4-methoxybenzamide
CID 5145973
N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-tert-butyl-2-(4-methoxyphenyl)acetamide
CID 42772831
N-[2-[1,3-benzodioxol-5-ylmethyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-cyclopropyl-2,4-dimethoxybenzamide
CID 5034674
N-cyclohexyl-4-fluoro-N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]benzamide
CID 3610810
N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)benzamide
CID 5052075
(2S)-N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-cyclopropyl-2-ethylhexanamide
CID 7399320

Frequently Asked Questions

What is the IUPAC name of N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-cyclopropyl-3,5-dimethoxybenzamide?
The IUPAC name of N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-cyclopropyl-3,5-dimethoxybenzamide (CID 1058909) is N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-cyclopropyl-3,5-dimethoxybenzamide.
What is the SMILES notation for N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-cyclopropyl-3,5-dimethoxybenzamide?
The canonical SMILES for N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-cyclopropyl-3,5-dimethoxybenzamide is COc1cc(OC)cc(C(=O)N(CC(=O)N(Cc2ccccc2)Cc2ccc(C)o2)C2CC2)c1.
What is the InChIKey of N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-cyclopropyl-3,5-dimethoxybenzamide?
The InChIKey is LAQXFXVIALJXTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O5/c1-19-9-12-23(34-19)17-28(16-20-7-5-4-6-8-20)26(30)18-29(22-10-11-22)27(31)21-13-24(32-2)15-25(14-21)33-3/h4-9,12-15,22H,10-11,16-18H2,1-3H3.
What are the key properties of N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-cyclopropyl-3,5-dimethoxybenzamide?
N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-cyclopropyl-3,5-dimethoxybenzamide has a molecular weight of 462.55 g/mol, XLogP of 4.44, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-cyclopropyl-3,5-dimethoxybenzamide is sourced from PubChem (CID 1058909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).