N-[[4-(furan-3-carbonyl)morpholin-2-yl]methyl]-3,4,5-trimethoxy-N-(2-methylpropyl)benzamide

C24H32N2O7 — CID 46059623

IUPACN-[[4-(furan-3-carbonyl)morpholin-2-yl]methyl]-3,4,5-trimethoxy-N-(2-methylpropyl)benzamide
SMILESCOc1cc(C(=O)N(CC(C)C)CC2CN(C(=O)c3ccoc3)CCO2)cc(OC)c1OC
InChIInChI=1S/C24H32N2O7/c1-16(2)12-26(24(28)18-10-20(29-3)22(31-5)21(11-18)30-4)14-19-13-25(7-9-33-19)23(27)17-6-8-32-15-17/h6,8,10-11,15-16,19H,7,9,12-14H2,1-5H3
InChIKeyIPPMKMMNEHIKLL-UHFFFAOYSA-N
MW460.53 g/mol
LogP2.94
Rot. Bonds9

About N-[[4-(furan-3-carbonyl)morpholin-2-yl]methyl]-3,4,5-trimethoxy-N-(2-methylpropyl)benzamide

N-[[4-(furan-3-carbonyl)morpholin-2-yl]methyl]-3,4,5-trimethoxy-N-(2-methylpropyl)benzamide (PubChem CID 46059623) has the molecular formula C24H32N2O7 and a molecular weight of 460.53 g/mol. Its IUPAC name is N-[[4-(furan-3-carbonyl)morpholin-2-yl]methyl]-3,4,5-trimethoxy-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound NameN-[[4-(furan-3-carbonyl)morpholin-2-yl]methyl]-3,4,5-trimethoxy-N-(2-methylpropyl)benzamide
PubChem CID46059623
Molecular FormulaC24H32N2O7
Molecular Weight460.53 g/mol
Exact Mass460.22
IUPAC NameN-[[4-(furan-3-carbonyl)morpholin-2-yl]methyl]-3,4,5-trimethoxy-N-(2-methylpropyl)benzamide
SMILESCOc1cc(C(=O)N(CC(C)C)CC2CN(C(=O)c3ccoc3)CCO2)cc(OC)c1OC
InChIInChI=1S/C24H32N2O7/c1-16(2)12-26(24(28)18-10-20(29-3)22(31-5)21(11-18)30-4)14-19-13-25(7-9-33-19)23(27)17-6-8-32-15-17/h6,8,10-11,15-16,19H,7,9,12-14H2,1-5H3
InChIKeyIPPMKMMNEHIKLL-UHFFFAOYSA-N
XLogP2.94
TPSA90.68 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.53
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-chlorophenyl)-2-[[2-methylpropyl-(3,4,5-trimethoxybenzoyl)amino]methyl]morpholine-4-carboxamide
CID 46059953
4-methyl-N-[[4-(4-methylbenzoyl)morpholin-2-yl]methyl]-N-(2-methylpropyl)benzamide
CID 46059580
N-[[(2R)-4-[(2R)-2-hydroxy-3-propan-2-yloxypropyl]morpholin-2-yl]methyl]-3,4,5-trimethoxy-N-(2-methylpropyl)benzamide
CID 99731545
N-[[4-(1,3-benzodioxole-5-carbonyl)morpholin-2-yl]methyl]-N-(2-methylpropyl)-1,3-benzodioxole-5-carboxamide
CID 46059631
N-[[4-[2-hydroxy-3-(2-methylpropoxy)propyl]morpholin-2-yl]methyl]-3,4,5-trimethoxy-N-(2-methylpropyl)benzamide
CID 46060142
N-[[4-(2-hydroxy-3-phenylpropyl)morpholin-2-yl]methyl]-3,4,5-trimethoxy-N-(2-methylpropyl)benzamide
CID 46060141
N-[[(2R)-4-[(2R)-2-hydroxy-3-phenoxypropyl]morpholin-2-yl]methyl]-3,4,5-trimethoxy-N-(2-methylpropyl)benzamide
CID 99729951
N-[[(2S)-4-[(2S)-3-(4-fluorophenoxy)-2-hydroxypropyl]morpholin-2-yl]methyl]-3,4,5-trimethoxy-N-(2-methylpropyl)benzamide
CID 92989390
N-[[(2S)-4-[(2S)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]morpholin-2-yl]methyl]-3,4,5-trimethoxy-N-(2-methylpropyl)benzamide
CID 92989372
N-[[4-(4-methylbenzoyl)morpholin-2-yl]methyl]-N-(2-methylpropyl)-1,3-benzodioxole-5-carboxamide
CID 46059626
furan-3-yl-[2-[(4-methoxyphenoxy)methyl]morpholin-4-yl]methanone
CID 42861355
N-[[(2R)-4-[(4-fluorophenyl)carbamothioyl]morpholin-2-yl]methyl]-3,4-dimethoxy-N-(2-methylpropyl)benzamide
CID 93338959

Frequently Asked Questions

What is the IUPAC name of N-[[4-(furan-3-carbonyl)morpholin-2-yl]methyl]-3,4,5-trimethoxy-N-(2-methylpropyl)benzamide?
The IUPAC name of N-[[4-(furan-3-carbonyl)morpholin-2-yl]methyl]-3,4,5-trimethoxy-N-(2-methylpropyl)benzamide (CID 46059623) is N-[[4-(furan-3-carbonyl)morpholin-2-yl]methyl]-3,4,5-trimethoxy-N-(2-methylpropyl)benzamide.
What is the SMILES notation for N-[[4-(furan-3-carbonyl)morpholin-2-yl]methyl]-3,4,5-trimethoxy-N-(2-methylpropyl)benzamide?
The canonical SMILES for N-[[4-(furan-3-carbonyl)morpholin-2-yl]methyl]-3,4,5-trimethoxy-N-(2-methylpropyl)benzamide is COc1cc(C(=O)N(CC(C)C)CC2CN(C(=O)c3ccoc3)CCO2)cc(OC)c1OC.
What is the InChIKey of N-[[4-(furan-3-carbonyl)morpholin-2-yl]methyl]-3,4,5-trimethoxy-N-(2-methylpropyl)benzamide?
The InChIKey is IPPMKMMNEHIKLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O7/c1-16(2)12-26(24(28)18-10-20(29-3)22(31-5)21(11-18)30-4)14-19-13-25(7-9-33-19)23(27)17-6-8-32-15-17/h6,8,10-11,15-16,19H,7,9,12-14H2,1-5H3.
What are the key properties of N-[[4-(furan-3-carbonyl)morpholin-2-yl]methyl]-3,4,5-trimethoxy-N-(2-methylpropyl)benzamide?
N-[[4-(furan-3-carbonyl)morpholin-2-yl]methyl]-3,4,5-trimethoxy-N-(2-methylpropyl)benzamide has a molecular weight of 460.53 g/mol, XLogP of 2.94, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(furan-3-carbonyl)morpholin-2-yl]methyl]-3,4,5-trimethoxy-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 46059623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).