N-[4-(methylamino)-4-oxobutyl]-2,5-bis(phenylmethoxy)benzamide

C26H28N2O4 — CID 67653350

IUPACN-[4-(methylamino)-4-oxobutyl]-2,5-bis(phenylmethoxy)benzamide
SMILESCNC(=O)CCCNC(=O)c1cc(OCc2ccccc2)ccc1OCc1ccccc1
InChIInChI=1S/C26H28N2O4/c1-27-25(29)13-8-16-28-26(30)23-17-22(31-18-20-9-4-2-5-10-20)14-15-24(23)32-19-21-11-6-3-7-12-21/h2-7,9-12,14-15,17H,8,13,16,18-19H2,1H3,(H,27,29)(H,28,30)
InChIKeyYIEOUOFABNXCGM-UHFFFAOYSA-N
MW432.52 g/mol
LogP4.10
Rot. Bonds11

About N-[4-(methylamino)-4-oxobutyl]-2,5-bis(phenylmethoxy)benzamide

N-[4-(methylamino)-4-oxobutyl]-2,5-bis(phenylmethoxy)benzamide (PubChem CID 67653350) has the molecular formula C26H28N2O4 and a molecular weight of 432.52 g/mol. Its IUPAC name is N-[4-(methylamino)-4-oxobutyl]-2,5-bis(phenylmethoxy)benzamide.

Molecular Properties

Compound NameN-[4-(methylamino)-4-oxobutyl]-2,5-bis(phenylmethoxy)benzamide
PubChem CID67653350
Molecular FormulaC26H28N2O4
Molecular Weight432.52 g/mol
Exact Mass432.20
IUPAC NameN-[4-(methylamino)-4-oxobutyl]-2,5-bis(phenylmethoxy)benzamide
SMILESCNC(=O)CCCNC(=O)c1cc(OCc2ccccc2)ccc1OCc1ccccc1
InChIInChI=1S/C26H28N2O4/c1-27-25(29)13-8-16-28-26(30)23-17-22(31-18-20-9-4-2-5-10-20)14-15-24(23)32-19-21-11-6-3-7-12-21/h2-7,9-12,14-15,17H,8,13,16,18-19H2,1H3,(H,27,29)(H,28,30)
InChIKeyYIEOUOFABNXCGM-UHFFFAOYSA-N
XLogP4.10
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(6-hydroxyhexyl)-2,5-bis(phenylmethoxy)benzamide
CID 67718157
2,5-bis(phenylmethoxy)-N-(2-piperidin-1-ylethyl)benzamide
CID 139616736
N-[6-oxo-6-(5-oxopyrrolidin-2-yl)hexyl]-2,5-bis(phenylmethoxy)benzamide
CID 67833101
3-[2,5-bis(phenylmethoxy)phenyl]-3-oxopropanoic acid
CID 170887038
4-(methylamino)-N-[2-(4-phenylmethoxyphenyl)ethyl]butanamide
CID 119735749
2-phenyl-N-(2-phenylethyl)-5-phenylmethoxybenzamide
CID 16663785
2-(2-methoxyphenyl)-N-(2-phenylethyl)-5-phenylmethoxybenzamide
CID 16663908
2-(3-methoxyphenyl)-5-phenylmethoxy-N-(3-phenylpropyl)benzamide
CID 16663907
N-[4-oxo-4-[(3-phenylmethoxyphenyl)methylamino]butyl]furan-2-carboxamide
CID 55845508
N-methyl-4-(5-phenylmethoxy-1H-indol-3-yl)butanamide
CID 157150353
2-chloro-N-(2-chloroethyl)-4-phenylmethoxybenzamide
CID 3826640
ethyl 3-[2,5-bis(phenylmethoxy)phenyl]but-2-enoate
CID 54056047

Frequently Asked Questions

What is the IUPAC name of N-[4-(methylamino)-4-oxobutyl]-2,5-bis(phenylmethoxy)benzamide?
The IUPAC name of N-[4-(methylamino)-4-oxobutyl]-2,5-bis(phenylmethoxy)benzamide (CID 67653350) is N-[4-(methylamino)-4-oxobutyl]-2,5-bis(phenylmethoxy)benzamide.
What is the SMILES notation for N-[4-(methylamino)-4-oxobutyl]-2,5-bis(phenylmethoxy)benzamide?
The canonical SMILES for N-[4-(methylamino)-4-oxobutyl]-2,5-bis(phenylmethoxy)benzamide is CNC(=O)CCCNC(=O)c1cc(OCc2ccccc2)ccc1OCc1ccccc1.
What is the InChIKey of N-[4-(methylamino)-4-oxobutyl]-2,5-bis(phenylmethoxy)benzamide?
The InChIKey is YIEOUOFABNXCGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O4/c1-27-25(29)13-8-16-28-26(30)23-17-22(31-18-20-9-4-2-5-10-20)14-15-24(23)32-19-21-11-6-3-7-12-21/h2-7,9-12,14-15,17H,8,13,16,18-19H2,1H3,(H,27,29)(H,28,30).
What are the key properties of N-[4-(methylamino)-4-oxobutyl]-2,5-bis(phenylmethoxy)benzamide?
N-[4-(methylamino)-4-oxobutyl]-2,5-bis(phenylmethoxy)benzamide has a molecular weight of 432.52 g/mol, XLogP of 4.10, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(methylamino)-4-oxobutyl]-2,5-bis(phenylmethoxy)benzamide is sourced from PubChem (CID 67653350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).