N-[4-(3,4,5-trimethoxyanilino)phenyl]cyclobutanecarboxamide

C20H24N2O4 — CID 112989494

IUPACN-[4-(3,4,5-trimethoxyanilino)phenyl]cyclobutanecarboxamide
SMILESCOc1cc(Nc2ccc(NC(=O)C3CCC3)cc2)cc(OC)c1OC
InChIInChI=1S/C20H24N2O4/c1-24-17-11-16(12-18(25-2)19(17)26-3)21-14-7-9-15(10-8-14)22-20(23)13-5-4-6-13/h7-13,21H,4-6H2,1-3H3,(H,22,23)
InChIKeyNASZTOIIOABMBG-UHFFFAOYSA-N
MW356.42 g/mol
LogP4.19
Rot. Bonds7

About N-[4-(3,4,5-trimethoxyanilino)phenyl]cyclobutanecarboxamide

N-[4-(3,4,5-trimethoxyanilino)phenyl]cyclobutanecarboxamide (PubChem CID 112989494) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is N-[4-(3,4,5-trimethoxyanilino)phenyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[4-(3,4,5-trimethoxyanilino)phenyl]cyclobutanecarboxamide
PubChem CID112989494
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC NameN-[4-(3,4,5-trimethoxyanilino)phenyl]cyclobutanecarboxamide
SMILESCOc1cc(Nc2ccc(NC(=O)C3CCC3)cc2)cc(OC)c1OC
InChIInChI=1S/C20H24N2O4/c1-24-17-11-16(12-18(25-2)19(17)26-3)21-14-7-9-15(10-8-14)22-20(23)13-5-4-6-13/h7-13,21H,4-6H2,1-3H3,(H,22,23)
InChIKeyNASZTOIIOABMBG-UHFFFAOYSA-N
XLogP4.19
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4,5-trimethoxyphenyl)cyclopentanecarboxamide
CID 7741672
N-[5-(3,4,5-trimethoxyanilino)-2-pyridinyl]cyclobutanecarboxamide
CID 113036526
methyl N-[4-(3,4,5-trimethoxyanilino)phenyl]carbamate
CID 112989491
N-[4-(4-methoxyanilino)phenyl]cyclohexanecarboxamide
CID 112987504
N-[4-(3,4,5-trimethoxyanilino)phenyl]propanamide
CID 112989467
N-(4-acetamido-3-methoxyphenyl)cyclohexanecarboxamide
CID 53491142
N-(3-bromo-4-methoxyphenyl)cyclopentanecarboxamide
CID 110776805
N-[4-(4-propan-2-ylanilino)phenyl]cyclobutanecarboxamide
CID 112986646
N-[4-(2-methoxyanilino)phenyl]cyclopropanecarboxamide
CID 112987323
N-(3-amino-4-methoxyphenyl)cyclooctanecarboxamide
CID 65023208
5-(cyclobutanecarbonylamino)-2-methoxy-N,N-dimethylbenzamide
CID 131935340
4-N,4-N-diethyl-1-N-(3,4,5-trimethoxyphenyl)cyclohexane-1,4-dicarboxamide
CID 109149494

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4,5-trimethoxyanilino)phenyl]cyclobutanecarboxamide?
The IUPAC name of N-[4-(3,4,5-trimethoxyanilino)phenyl]cyclobutanecarboxamide (CID 112989494) is N-[4-(3,4,5-trimethoxyanilino)phenyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[4-(3,4,5-trimethoxyanilino)phenyl]cyclobutanecarboxamide?
The canonical SMILES for N-[4-(3,4,5-trimethoxyanilino)phenyl]cyclobutanecarboxamide is COc1cc(Nc2ccc(NC(=O)C3CCC3)cc2)cc(OC)c1OC.
What is the InChIKey of N-[4-(3,4,5-trimethoxyanilino)phenyl]cyclobutanecarboxamide?
The InChIKey is NASZTOIIOABMBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-24-17-11-16(12-18(25-2)19(17)26-3)21-14-7-9-15(10-8-14)22-20(23)13-5-4-6-13/h7-13,21H,4-6H2,1-3H3,(H,22,23).
What are the key properties of N-[4-(3,4,5-trimethoxyanilino)phenyl]cyclobutanecarboxamide?
N-[4-(3,4,5-trimethoxyanilino)phenyl]cyclobutanecarboxamide has a molecular weight of 356.42 g/mol, XLogP of 4.19, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,4,5-trimethoxyanilino)phenyl]cyclobutanecarboxamide is sourced from PubChem (CID 112989494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).