5-formamido-2-methoxy-N-[2-[4-methoxy-3-[[2-[4-methoxy-3-(2-oxoethylcarbamoyl)anilino]-2-oxoethyl]carbamoyl]anilino]-2-oxoethyl]benzamide

C31H32N6O10 — CID 131994778

IUPAC5-formamido-2-methoxy-N-[2-[4-methoxy-3-[[2-[4-methoxy-3-(2-oxoethylcarbamoyl)anilino]-2-oxoethyl]carbamoyl]anilino]-2-oxoethyl]benzamide
SMILESCOc1ccc(NC(=O)CNC(=O)c2cc(NC(=O)CNC(=O)c3cc(NC=O)ccc3OC)ccc2OC)cc1C(=O)NCC=O
InChIInChI=1S/C31H32N6O10/c1-45-24-7-4-18(35-17-39)12-21(24)30(43)33-15-27(40)37-20-6-9-26(47-3)23(14-20)31(44)34-16-28(41)36-19-5-8-25(46-2)22(13-19)29(42)32-10-11-38/h4-9,11-14,17H,10,15-16H2,1-3H3,(H,32,42)(H,33,43)(H,34,44)(H,35,39)(H,36,41)(H,37,40)
InChIKeyBIQDQUGUYIYCBH-UHFFFAOYSA-N
MW648.63 g/mol
LogP0.95
Rot. Bonds16

About 5-formamido-2-methoxy-N-[2-[4-methoxy-3-[[2-[4-methoxy-3-(2-oxoethylcarbamoyl)anilino]-2-oxoethyl]carbamoyl]anilino]-2-oxoethyl]benzamide

5-formamido-2-methoxy-N-[2-[4-methoxy-3-[[2-[4-methoxy-3-(2-oxoethylcarbamoyl)anilino]-2-oxoethyl]carbamoyl]anilino]-2-oxoethyl]benzamide (PubChem CID 131994778) has the molecular formula C31H32N6O10 and a molecular weight of 648.63 g/mol. Its IUPAC name is 5-formamido-2-methoxy-N-[2-[4-methoxy-3-[[2-[4-methoxy-3-(2-oxoethylcarbamoyl)anilino]-2-oxoethyl]carbamoyl]anilino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name5-formamido-2-methoxy-N-[2-[4-methoxy-3-[[2-[4-methoxy-3-(2-oxoethylcarbamoyl)anilino]-2-oxoethyl]carbamoyl]anilino]-2-oxoethyl]benzamide
PubChem CID131994778
Molecular FormulaC31H32N6O10
Molecular Weight648.63 g/mol
Exact Mass648.22
IUPAC Name5-formamido-2-methoxy-N-[2-[4-methoxy-3-[[2-[4-methoxy-3-(2-oxoethylcarbamoyl)anilino]-2-oxoethyl]carbamoyl]anilino]-2-oxoethyl]benzamide
SMILESCOc1ccc(NC(=O)CNC(=O)c2cc(NC(=O)CNC(=O)c3cc(NC=O)ccc3OC)ccc2OC)cc1C(=O)NCC=O
InChIInChI=1S/C31H32N6O10/c1-45-24-7-4-18(35-17-39)12-21(24)30(43)33-15-27(40)37-20-6-9-26(47-3)23(14-20)31(44)34-16-28(41)36-19-5-8-25(46-2)22(13-19)29(42)32-10-11-38/h4-9,11-14,17H,10,15-16H2,1-3H3,(H,32,42)(H,33,43)(H,34,44)(H,35,39)(H,36,41)(H,37,40)
InChIKeyBIQDQUGUYIYCBH-UHFFFAOYSA-N
XLogP0.95
TPSA219.36 Ų
H-Bond Donors6
H-Bond Acceptors10
Rotatable Bonds16
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500648.63
LogP ≤ 50.95
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

5-acetamido-N-[2-[3-[[2-[3-[[2-(3-carbamoyl-4-methoxyanilino)-2-oxoethyl]carbamoyl]-4-methoxyanilino]-2-oxoethyl]carbamoyl]-4-methoxyanilino]-2-oxoethyl]-2-methoxybenzamide
CID 131994831
N-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-2-fluorobenzamide
CID 26694803
5-acetamido-N-(cyanomethyl)-2-methoxybenzamide
CID 82479761
N-[2-(4-bromoanilino)-2-oxoethyl]-2-methoxybenzamide
CID 26537380
2-methoxy-5-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 9301929
2,4-dichloro-N-[2-[[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 2457198
N-(3-bromo-4-methoxyphenyl)-2-(prop-2-enylamino)acetamide
CID 79280621
N-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-3,4-dimethoxybenzamide
CID 27648546
2-methoxy-N-[2-oxo-2-[4-(1,2,4-triazol-1-yl)anilino]ethyl]-5-sulfamoylbenzamide
CID 51134168
N-(4-methoxy-3-methylphenyl)-2-(prop-2-enylamino)acetamide
CID 79280189
N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-2,6-dimethoxybenzamide
CID 110370532
N-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-2-(4-methoxyphenyl)acetamide
CID 112999287

Frequently Asked Questions

What is the IUPAC name of 5-formamido-2-methoxy-N-[2-[4-methoxy-3-[[2-[4-methoxy-3-(2-oxoethylcarbamoyl)anilino]-2-oxoethyl]carbamoyl]anilino]-2-oxoethyl]benzamide?
The IUPAC name of 5-formamido-2-methoxy-N-[2-[4-methoxy-3-[[2-[4-methoxy-3-(2-oxoethylcarbamoyl)anilino]-2-oxoethyl]carbamoyl]anilino]-2-oxoethyl]benzamide (CID 131994778) is 5-formamido-2-methoxy-N-[2-[4-methoxy-3-[[2-[4-methoxy-3-(2-oxoethylcarbamoyl)anilino]-2-oxoethyl]carbamoyl]anilino]-2-oxoethyl]benzamide.
What is the SMILES notation for 5-formamido-2-methoxy-N-[2-[4-methoxy-3-[[2-[4-methoxy-3-(2-oxoethylcarbamoyl)anilino]-2-oxoethyl]carbamoyl]anilino]-2-oxoethyl]benzamide?
The canonical SMILES for 5-formamido-2-methoxy-N-[2-[4-methoxy-3-[[2-[4-methoxy-3-(2-oxoethylcarbamoyl)anilino]-2-oxoethyl]carbamoyl]anilino]-2-oxoethyl]benzamide is COc1ccc(NC(=O)CNC(=O)c2cc(NC(=O)CNC(=O)c3cc(NC=O)ccc3OC)ccc2OC)cc1C(=O)NCC=O.
What is the InChIKey of 5-formamido-2-methoxy-N-[2-[4-methoxy-3-[[2-[4-methoxy-3-(2-oxoethylcarbamoyl)anilino]-2-oxoethyl]carbamoyl]anilino]-2-oxoethyl]benzamide?
The InChIKey is BIQDQUGUYIYCBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32N6O10/c1-45-24-7-4-18(35-17-39)12-21(24)30(43)33-15-27(40)37-20-6-9-26(47-3)23(14-20)31(44)34-16-28(41)36-19-5-8-25(46-2)22(13-19)29(42)32-10-11-38/h4-9,11-14,17H,10,15-16H2,1-3H3,(H,32,42)(H,33,43)(H,34,44)(H,35,39)(H,36,41)(H,37,40).
What are the key properties of 5-formamido-2-methoxy-N-[2-[4-methoxy-3-[[2-[4-methoxy-3-(2-oxoethylcarbamoyl)anilino]-2-oxoethyl]carbamoyl]anilino]-2-oxoethyl]benzamide?
5-formamido-2-methoxy-N-[2-[4-methoxy-3-[[2-[4-methoxy-3-(2-oxoethylcarbamoyl)anilino]-2-oxoethyl]carbamoyl]anilino]-2-oxoethyl]benzamide has a molecular weight of 648.63 g/mol, XLogP of 0.95, 16 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-formamido-2-methoxy-N-[2-[4-methoxy-3-[[2-[4-methoxy-3-(2-oxoethylcarbamoyl)anilino]-2-oxoethyl]carbamoyl]anilino]-2-oxoethyl]benzamide is sourced from PubChem (CID 131994778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).