N-[3-methyl-4-[3-(pentylcarbamoylamino)phenoxy]phenyl]-4-(1-propan-2-ylpiperidin-3-yl)oxybenzamide

C34H44N4O4 — CID 69144788

IUPACN-[3-methyl-4-[3-(pentylcarbamoylamino)phenoxy]phenyl]-4-(1-propan-2-ylpiperidin-3-yl)oxybenzamide
SMILESCCCCCNC(=O)Nc1cccc(Oc2ccc(NC(=O)c3ccc(OC4CCCN(C(C)C)C4)cc3)cc2C)c1
InChIInChI=1S/C34H44N4O4/c1-5-6-7-19-35-34(40)37-27-10-8-11-30(22-27)42-32-18-15-28(21-25(32)4)36-33(39)26-13-16-29(17-14-26)41-31-12-9-20-38(23-31)24(2)3/h8,10-11,13-18,21-22,24,31H,5-7,9,12,19-20,23H2,1-4H3,(H,36,39)(H2,35,37,40)
InChIKeyURIBYZUZDVQRPM-UHFFFAOYSA-N
MW572.75 g/mol
LogP7.60
Rot. Bonds12

About N-[3-methyl-4-[3-(pentylcarbamoylamino)phenoxy]phenyl]-4-(1-propan-2-ylpiperidin-3-yl)oxybenzamide

N-[3-methyl-4-[3-(pentylcarbamoylamino)phenoxy]phenyl]-4-(1-propan-2-ylpiperidin-3-yl)oxybenzamide (PubChem CID 69144788) has the molecular formula C34H44N4O4 and a molecular weight of 572.75 g/mol. Its IUPAC name is N-[3-methyl-4-[3-(pentylcarbamoylamino)phenoxy]phenyl]-4-(1-propan-2-ylpiperidin-3-yl)oxybenzamide.

Molecular Properties

Compound NameN-[3-methyl-4-[3-(pentylcarbamoylamino)phenoxy]phenyl]-4-(1-propan-2-ylpiperidin-3-yl)oxybenzamide
PubChem CID69144788
Molecular FormulaC34H44N4O4
Molecular Weight572.75 g/mol
Exact Mass572.34
IUPAC NameN-[3-methyl-4-[3-(pentylcarbamoylamino)phenoxy]phenyl]-4-(1-propan-2-ylpiperidin-3-yl)oxybenzamide
SMILESCCCCCNC(=O)Nc1cccc(Oc2ccc(NC(=O)c3ccc(OC4CCCN(C(C)C)C4)cc3)cc2C)c1
InChIInChI=1S/C34H44N4O4/c1-5-6-7-19-35-34(40)37-27-10-8-11-30(22-27)42-32-18-15-28(21-25(32)4)36-33(39)26-13-16-29(17-14-26)41-31-12-9-20-38(23-31)24(2)3/h8,10-11,13-18,21-22,24,31H,5-7,9,12,19-20,23H2,1-4H3,(H,36,39)(H2,35,37,40)
InChIKeyURIBYZUZDVQRPM-UHFFFAOYSA-N
XLogP7.60
TPSA91.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.75
LogP ≤ 57.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[2-methoxy-4-(pentylcarbamoylamino)phenoxy]phenyl]-4-(1-propan-2-ylpiperidin-4-yl)oxybenzamide
CID 69143425
4-(1-benzylpiperidin-4-yl)oxy-N-[3-methyl-4-[4-(pentan-3-ylcarbamoylamino)phenoxy]phenyl]benzamide
CID 68965748
4-(1-butylpiperidin-4-yl)oxy-N-[4-[2,5-difluoro-4-(pentylcarbamoylamino)phenoxy]phenyl]benzamide
CID 69143674
4-[4-[[4-[2-methoxy-4-(pentylcarbamoylamino)phenoxy]phenyl]-(2-methylpropyl)carbamoyl]phenoxy]piperidine-1-carboxylic acid
CID 69144691
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
N-[4-[2-methoxy-4-(pentan-3-ylcarbamoylamino)phenoxy]phenyl]-4-[(1-propan-2-ylpiperidin-4-yl)methoxy]benzamide
CID 68969074
N-[4-(tetradecylcarbamoylamino)phenyl]benzamide
CID 24820448
N-ethyl-5-(pentylcarbamoylamino)-2-[4-[[4-[3-(piperidin-1-ylmethyl)pyrrol-1-yl]benzoyl]amino]phenoxy]benzamide
CID 69332190
4-(1-butylpiperidin-4-yl)oxy-N-[4-(2-methoxyphenoxy)phenyl]-3-methylbenzamide
CID 91359232
4-butoxy-N-(3-hexoxyphenyl)benzamide
CID 17094812
1-N,4-N-bis(3-hexoxyphenyl)benzene-1,4-dicarboxamide
CID 17094971

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-4-[3-(pentylcarbamoylamino)phenoxy]phenyl]-4-(1-propan-2-ylpiperidin-3-yl)oxybenzamide?
The IUPAC name of N-[3-methyl-4-[3-(pentylcarbamoylamino)phenoxy]phenyl]-4-(1-propan-2-ylpiperidin-3-yl)oxybenzamide (CID 69144788) is N-[3-methyl-4-[3-(pentylcarbamoylamino)phenoxy]phenyl]-4-(1-propan-2-ylpiperidin-3-yl)oxybenzamide.
What is the SMILES notation for N-[3-methyl-4-[3-(pentylcarbamoylamino)phenoxy]phenyl]-4-(1-propan-2-ylpiperidin-3-yl)oxybenzamide?
The canonical SMILES for N-[3-methyl-4-[3-(pentylcarbamoylamino)phenoxy]phenyl]-4-(1-propan-2-ylpiperidin-3-yl)oxybenzamide is CCCCCNC(=O)Nc1cccc(Oc2ccc(NC(=O)c3ccc(OC4CCCN(C(C)C)C4)cc3)cc2C)c1.
What is the InChIKey of N-[3-methyl-4-[3-(pentylcarbamoylamino)phenoxy]phenyl]-4-(1-propan-2-ylpiperidin-3-yl)oxybenzamide?
The InChIKey is URIBYZUZDVQRPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H44N4O4/c1-5-6-7-19-35-34(40)37-27-10-8-11-30(22-27)42-32-18-15-28(21-25(32)4)36-33(39)26-13-16-29(17-14-26)41-31-12-9-20-38(23-31)24(2)3/h8,10-11,13-18,21-22,24,31H,5-7,9,12,19-20,23H2,1-4H3,(H,36,39)(H2,35,37,40).
What are the key properties of N-[3-methyl-4-[3-(pentylcarbamoylamino)phenoxy]phenyl]-4-(1-propan-2-ylpiperidin-3-yl)oxybenzamide?
N-[3-methyl-4-[3-(pentylcarbamoylamino)phenoxy]phenyl]-4-(1-propan-2-ylpiperidin-3-yl)oxybenzamide has a molecular weight of 572.75 g/mol, XLogP of 7.60, 12 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-4-[3-(pentylcarbamoylamino)phenoxy]phenyl]-4-(1-propan-2-ylpiperidin-3-yl)oxybenzamide is sourced from PubChem (CID 69144788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).