N-[3-[2-[4,5-dimethoxy-2-(piperidine-1-carbonyl)anilino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide

C26H31N3O6 — CID 55639706

IUPACN-[3-[2-[4,5-dimethoxy-2-(piperidine-1-carbonyl)anilino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide
SMILESCOc1cc(NC(=O)COc2cccc(NC(=O)C3CC3)c2)c(C(=O)N2CCCCC2)cc1OC
InChIInChI=1S/C26H31N3O6/c1-33-22-14-20(26(32)29-11-4-3-5-12-29)21(15-23(22)34-2)28-24(30)16-35-19-8-6-7-18(13-19)27-25(31)17-9-10-17/h6-8,13-15,17H,3-5,9-12,16H2,1-2H3,(H,27,31)(H,28,30)
InChIKeyRBJIDTBIGJDMFO-UHFFFAOYSA-N
MW481.55 g/mol
LogP3.70
Rot. Bonds9

About N-[3-[2-[4,5-dimethoxy-2-(piperidine-1-carbonyl)anilino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide

N-[3-[2-[4,5-dimethoxy-2-(piperidine-1-carbonyl)anilino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide (PubChem CID 55639706) has the molecular formula C26H31N3O6 and a molecular weight of 481.55 g/mol. Its IUPAC name is N-[3-[2-[4,5-dimethoxy-2-(piperidine-1-carbonyl)anilino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-[2-[4,5-dimethoxy-2-(piperidine-1-carbonyl)anilino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide
PubChem CID55639706
Molecular FormulaC26H31N3O6
Molecular Weight481.55 g/mol
Exact Mass481.22
IUPAC NameN-[3-[2-[4,5-dimethoxy-2-(piperidine-1-carbonyl)anilino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide
SMILESCOc1cc(NC(=O)COc2cccc(NC(=O)C3CC3)c2)c(C(=O)N2CCCCC2)cc1OC
InChIInChI=1S/C26H31N3O6/c1-33-22-14-20(26(32)29-11-4-3-5-12-29)21(15-23(22)34-2)28-24(30)16-35-19-8-6-7-18(13-19)27-25(31)17-9-10-17/h6-8,13-15,17H,3-5,9-12,16H2,1-2H3,(H,27,31)(H,28,30)
InChIKeyRBJIDTBIGJDMFO-UHFFFAOYSA-N
XLogP3.70
TPSA106.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.55
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4,5-dimethoxy-2-(pyrrolidine-1-carbonyl)phenyl]-2-(3-methylphenoxy)acetamide
CID 55639621
N-[3-[2-(3-amino-4-methoxyanilino)-2-oxoethoxy]phenyl]cyclopropanecarboxamide;hydrochloride
CID 119420224
4-N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]-1-N-phenylpiperidine-1,4-dicarboxamide
CID 55638882
methyl 2-[3-(cyclopropanecarbonylamino)phenoxy]acetate
CID 47170141
N-[3-[2-oxo-2-[2-(pyrrolidin-1-ylmethyl)anilino]ethoxy]phenyl]cyclopropanecarboxamide
CID 55677177
N-[3-[2-[5-(diethylsulfamoyl)-2-methoxyanilino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 55603366
2-[4-(azocane-1-carbonyl)phenoxy]-N-(3-methoxyphenyl)acetamide
CID 51145616
2-(cyclopropylmethylamino)-N-[4,5-dimethoxy-2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 119711968
N-[3-[2-(3,5-difluoro-4-methoxyanilino)-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 87031657
N-[3-[2-(2-hydroxy-5-methylanilino)-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 60562038
methyl 3-[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]-3-(3,4-dimethoxyphenyl)propanoate
CID 46546821
N-[3-[2-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylanilino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 55895003

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[4,5-dimethoxy-2-(piperidine-1-carbonyl)anilino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[3-[2-[4,5-dimethoxy-2-(piperidine-1-carbonyl)anilino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide (CID 55639706) is N-[3-[2-[4,5-dimethoxy-2-(piperidine-1-carbonyl)anilino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-[2-[4,5-dimethoxy-2-(piperidine-1-carbonyl)anilino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-[2-[4,5-dimethoxy-2-(piperidine-1-carbonyl)anilino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide is COc1cc(NC(=O)COc2cccc(NC(=O)C3CC3)c2)c(C(=O)N2CCCCC2)cc1OC.
What is the InChIKey of N-[3-[2-[4,5-dimethoxy-2-(piperidine-1-carbonyl)anilino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide?
The InChIKey is RBJIDTBIGJDMFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O6/c1-33-22-14-20(26(32)29-11-4-3-5-12-29)21(15-23(22)34-2)28-24(30)16-35-19-8-6-7-18(13-19)27-25(31)17-9-10-17/h6-8,13-15,17H,3-5,9-12,16H2,1-2H3,(H,27,31)(H,28,30).
What are the key properties of N-[3-[2-[4,5-dimethoxy-2-(piperidine-1-carbonyl)anilino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide?
N-[3-[2-[4,5-dimethoxy-2-(piperidine-1-carbonyl)anilino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide has a molecular weight of 481.55 g/mol, XLogP of 3.70, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[4,5-dimethoxy-2-(piperidine-1-carbonyl)anilino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 55639706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).