N-[4-[2-methoxy-4-(pentylcarbamoylamino)phenoxy]phenyl]-4-(1-propan-2-ylpiperidin-4-yl)oxybenzamide

C34H44N4O5 — CID 69143425

IUPACN-[4-[2-methoxy-4-(pentylcarbamoylamino)phenoxy]phenyl]-4-(1-propan-2-ylpiperidin-4-yl)oxybenzamide
SMILESCCCCCNC(=O)Nc1ccc(Oc2ccc(NC(=O)c3ccc(OC4CCN(C(C)C)CC4)cc3)cc2)c(OC)c1
InChIInChI=1S/C34H44N4O5/c1-5-6-7-20-35-34(40)37-27-12-17-31(32(23-27)41-4)43-29-15-10-26(11-16-29)36-33(39)25-8-13-28(14-9-25)42-30-18-21-38(22-19-30)24(2)3/h8-17,23-24,30H,5-7,18-22H2,1-4H3,(H,36,39)(H2,35,37,40)
InChIKeyJFLJHLHHDSLKLK-UHFFFAOYSA-N
MW588.75 g/mol
LogP7.30
Rot. Bonds13

About N-[4-[2-methoxy-4-(pentylcarbamoylamino)phenoxy]phenyl]-4-(1-propan-2-ylpiperidin-4-yl)oxybenzamide

N-[4-[2-methoxy-4-(pentylcarbamoylamino)phenoxy]phenyl]-4-(1-propan-2-ylpiperidin-4-yl)oxybenzamide (PubChem CID 69143425) has the molecular formula C34H44N4O5 and a molecular weight of 588.75 g/mol. Its IUPAC name is N-[4-[2-methoxy-4-(pentylcarbamoylamino)phenoxy]phenyl]-4-(1-propan-2-ylpiperidin-4-yl)oxybenzamide.

Molecular Properties

Compound NameN-[4-[2-methoxy-4-(pentylcarbamoylamino)phenoxy]phenyl]-4-(1-propan-2-ylpiperidin-4-yl)oxybenzamide
PubChem CID69143425
Molecular FormulaC34H44N4O5
Molecular Weight588.75 g/mol
Exact Mass588.33
IUPAC NameN-[4-[2-methoxy-4-(pentylcarbamoylamino)phenoxy]phenyl]-4-(1-propan-2-ylpiperidin-4-yl)oxybenzamide
SMILESCCCCCNC(=O)Nc1ccc(Oc2ccc(NC(=O)c3ccc(OC4CCN(C(C)C)CC4)cc3)cc2)c(OC)c1
InChIInChI=1S/C34H44N4O5/c1-5-6-7-20-35-34(40)37-27-12-17-31(32(23-27)41-4)43-29-15-10-26(11-16-29)36-33(39)25-8-13-28(14-9-25)42-30-18-21-38(22-19-30)24(2)3/h8-17,23-24,30H,5-7,18-22H2,1-4H3,(H,36,39)(H2,35,37,40)
InChIKeyJFLJHLHHDSLKLK-UHFFFAOYSA-N
XLogP7.30
TPSA101.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.75
LogP ≤ 57.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[2-methoxy-4-(pentan-3-ylcarbamoylamino)phenoxy]phenyl]-4-[(1-propan-2-ylpiperidin-4-yl)methoxy]benzamide
CID 68969074
4-[4-[[4-[2-methoxy-4-(pentylcarbamoylamino)phenoxy]phenyl]-(2-methylpropyl)carbamoyl]phenoxy]piperidine-1-carboxylic acid
CID 69144691
N-[3-methyl-4-[3-(pentylcarbamoylamino)phenoxy]phenyl]-4-(1-propan-2-ylpiperidin-3-yl)oxybenzamide
CID 69144788
N-[4-[1-(4-hydroxybutyl)piperidin-4-yl]oxyphenyl]-N-[4-[2-methoxy-4-(pentylcarbamoylamino)phenoxy]phenyl]acetamide
CID 69144842
4-(1-butylpiperidin-4-yl)oxy-N-[4-[2,5-difluoro-4-(pentylcarbamoylamino)phenoxy]phenyl]benzamide
CID 69143674
4-(1-butan-2-ylpiperidin-4-yl)oxy-N-[3-methyl-4-[4-(pentan-3-ylcarbamoylamino)phenoxy]phenyl]benzamide;N-[4-[2-methoxy-4-(pentan-3-ylcarbamoylamino)phenoxy]phenyl]-4-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]oxybenzamide
CID 87721218
4-(1-butylpiperidin-4-yl)oxy-N-[4-[2-ethoxy-4-(pentylcarbamoylamino)phenoxy]phenyl]-N-(2-methoxyethyl)benzamide
CID 69145220
4-(1-benzylpiperidin-4-yl)oxy-N-[5-[2-methoxy-4-(pentan-3-ylcarbamoylamino)phenoxy]-1,3-thiazol-2-yl]benzamide;N-[4-[2-methoxy-5-(pentan-3-ylcarbamoylamino)phenoxy]phenyl]-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide
CID 87714303
4-N-(3,4-dimethoxyphenyl)-1-N-pentylbenzene-1,4-dicarboxamide
CID 109048755
4-(1-butylpiperidin-4-yl)oxy-N-[4-(2-methoxyphenoxy)phenyl]-3-methylbenzamide
CID 91359232
4-[2-(1-butylpiperidin-4-yl)oxyethyl]-N-[4-[2-methoxy-4-(pentan-3-ylcarbamoylamino)phenoxy]phenyl]-3-methylbenzamide
CID 91001282
N-[4-[2-methoxy-4-(pentan-3-ylcarbamoylamino)phenoxy]phenyl]-4-(2-methyl-1-piperidin-4-ylpropoxy)benzamide
CID 68969075

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-methoxy-4-(pentylcarbamoylamino)phenoxy]phenyl]-4-(1-propan-2-ylpiperidin-4-yl)oxybenzamide?
The IUPAC name of N-[4-[2-methoxy-4-(pentylcarbamoylamino)phenoxy]phenyl]-4-(1-propan-2-ylpiperidin-4-yl)oxybenzamide (CID 69143425) is N-[4-[2-methoxy-4-(pentylcarbamoylamino)phenoxy]phenyl]-4-(1-propan-2-ylpiperidin-4-yl)oxybenzamide.
What is the SMILES notation for N-[4-[2-methoxy-4-(pentylcarbamoylamino)phenoxy]phenyl]-4-(1-propan-2-ylpiperidin-4-yl)oxybenzamide?
The canonical SMILES for N-[4-[2-methoxy-4-(pentylcarbamoylamino)phenoxy]phenyl]-4-(1-propan-2-ylpiperidin-4-yl)oxybenzamide is CCCCCNC(=O)Nc1ccc(Oc2ccc(NC(=O)c3ccc(OC4CCN(C(C)C)CC4)cc3)cc2)c(OC)c1.
What is the InChIKey of N-[4-[2-methoxy-4-(pentylcarbamoylamino)phenoxy]phenyl]-4-(1-propan-2-ylpiperidin-4-yl)oxybenzamide?
The InChIKey is JFLJHLHHDSLKLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H44N4O5/c1-5-6-7-20-35-34(40)37-27-12-17-31(32(23-27)41-4)43-29-15-10-26(11-16-29)36-33(39)25-8-13-28(14-9-25)42-30-18-21-38(22-19-30)24(2)3/h8-17,23-24,30H,5-7,18-22H2,1-4H3,(H,36,39)(H2,35,37,40).
What are the key properties of N-[4-[2-methoxy-4-(pentylcarbamoylamino)phenoxy]phenyl]-4-(1-propan-2-ylpiperidin-4-yl)oxybenzamide?
N-[4-[2-methoxy-4-(pentylcarbamoylamino)phenoxy]phenyl]-4-(1-propan-2-ylpiperidin-4-yl)oxybenzamide has a molecular weight of 588.75 g/mol, XLogP of 7.30, 13 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-methoxy-4-(pentylcarbamoylamino)phenoxy]phenyl]-4-(1-propan-2-ylpiperidin-4-yl)oxybenzamide is sourced from PubChem (CID 69143425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).