N-[2-[3-benzoyl-4-[[2-(4-methylphenyl)acetyl]amino]anilino]-2-oxoethyl]heptadecanamide

C41H55N3O4 — CID 10283110

IUPACN-[2-[3-benzoyl-4-[[2-(4-methylphenyl)acetyl]amino]anilino]-2-oxoethyl]heptadecanamide
SMILESCCCCCCCCCCCCCCCCC(=O)NCC(=O)Nc1ccc(NC(=O)Cc2ccc(C)cc2)c(C(=O)c2ccccc2)c1
InChIInChI=1S/C41H55N3O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-38(45)42-31-40(47)43-35-27-28-37(36(30-35)41(48)34-20-17-16-18-21-34)44-39(46)29-33-25-23-32(2)24-26-33/h16-18,20-21,23-28,30H,3-15,19,22,29,31H2,1-2H3,(H,42,45)(H,43,47)(H,44,46)
InChIKeyRZXHYVHAPWDZHD-UHFFFAOYSA-N
MW653.91 g/mol
LogP9.33
Rot. Bonds23

About N-[2-[3-benzoyl-4-[[2-(4-methylphenyl)acetyl]amino]anilino]-2-oxoethyl]heptadecanamide

N-[2-[3-benzoyl-4-[[2-(4-methylphenyl)acetyl]amino]anilino]-2-oxoethyl]heptadecanamide (PubChem CID 10283110) has the molecular formula C41H55N3O4 and a molecular weight of 653.91 g/mol. Its IUPAC name is N-[2-[3-benzoyl-4-[[2-(4-methylphenyl)acetyl]amino]anilino]-2-oxoethyl]heptadecanamide.

Molecular Properties

Compound NameN-[2-[3-benzoyl-4-[[2-(4-methylphenyl)acetyl]amino]anilino]-2-oxoethyl]heptadecanamide
PubChem CID10283110
Molecular FormulaC41H55N3O4
Molecular Weight653.91 g/mol
Exact Mass653.42
IUPAC NameN-[2-[3-benzoyl-4-[[2-(4-methylphenyl)acetyl]amino]anilino]-2-oxoethyl]heptadecanamide
SMILESCCCCCCCCCCCCCCCCC(=O)NCC(=O)Nc1ccc(NC(=O)Cc2ccc(C)cc2)c(C(=O)c2ccccc2)c1
InChIInChI=1S/C41H55N3O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-38(45)42-31-40(47)43-35-27-28-37(36(30-35)41(48)34-20-17-16-18-21-34)44-39(46)29-33-25-23-32(2)24-26-33/h16-18,20-21,23-28,30H,3-15,19,22,29,31H2,1-2H3,(H,42,45)(H,43,47)(H,44,46)
InChIKeyRZXHYVHAPWDZHD-UHFFFAOYSA-N
XLogP9.33
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds23
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500653.91
LogP ≤ 59.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-benzoyl-4-[[2-(4-methylphenyl)acetyl]amino]phenyl]benzamide
CID 10297535
N-[2-benzoyl-4-[[2-(3-methylphenyl)acetyl]amino]phenyl]-2-(4-methylphenyl)acetamide
CID 11236897
N-[2-benzoyl-4-[(2-naphthalen-2-ylacetyl)amino]phenyl]-2-(4-methylphenyl)acetamide
CID 11214428
N-[3-benzoyl-4-[[2-(4-methylphenyl)acetyl]amino]phenyl]anthracene-9-carboxamide
CID 10166062
(E)-N-[3-benzoyl-4-[[2-(4-methylphenyl)acetyl]amino]phenyl]-3-[5-(4-chlorophenyl)thiophen-2-yl]prop-2-enamide
CID 101196855
N-(2-benzoyl-4-methylphenyl)-2-(4-ethoxyphenyl)acetamide
CID 8719623
(E)-N-[3-benzoyl-4-[[2-(4-methylphenyl)acetyl]amino]phenyl]-3-[4-(4-methylsulfonylphenyl)thiophen-2-yl]prop-2-enamide
CID 11467815
N-[2-(4-hydroxyanilino)-2-oxoethyl]heptanamide
CID 22082464
(E)-N-[3-benzoyl-4-[[2-(4-methylphenyl)acetyl]amino]phenyl]-3-[4-[4-(trifluoromethyl)phenyl]furan-2-yl]prop-2-enamide
CID 11763380
N-[4-fluoro-3-[(2-phenylacetyl)amino]phenyl]pentanamide
CID 87006947
N-[2-(2-fluoroanilino)-2-oxoethyl]nonanamide
CID 42765956
N-[(4-methylphenyl)methyl]hexadecanamide
CID 11111158

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-benzoyl-4-[[2-(4-methylphenyl)acetyl]amino]anilino]-2-oxoethyl]heptadecanamide?
The IUPAC name of N-[2-[3-benzoyl-4-[[2-(4-methylphenyl)acetyl]amino]anilino]-2-oxoethyl]heptadecanamide (CID 10283110) is N-[2-[3-benzoyl-4-[[2-(4-methylphenyl)acetyl]amino]anilino]-2-oxoethyl]heptadecanamide.
What is the SMILES notation for N-[2-[3-benzoyl-4-[[2-(4-methylphenyl)acetyl]amino]anilino]-2-oxoethyl]heptadecanamide?
The canonical SMILES for N-[2-[3-benzoyl-4-[[2-(4-methylphenyl)acetyl]amino]anilino]-2-oxoethyl]heptadecanamide is CCCCCCCCCCCCCCCCC(=O)NCC(=O)Nc1ccc(NC(=O)Cc2ccc(C)cc2)c(C(=O)c2ccccc2)c1.
What is the InChIKey of N-[2-[3-benzoyl-4-[[2-(4-methylphenyl)acetyl]amino]anilino]-2-oxoethyl]heptadecanamide?
The InChIKey is RZXHYVHAPWDZHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H55N3O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-38(45)42-31-40(47)43-35-27-28-37(36(30-35)41(48)34-20-17-16-18-21-34)44-39(46)29-33-25-23-32(2)24-26-33/h16-18,20-21,23-28,30H,3-15,19,22,29,31H2,1-2H3,(H,42,45)(H,43,47)(H,44,46).
What are the key properties of N-[2-[3-benzoyl-4-[[2-(4-methylphenyl)acetyl]amino]anilino]-2-oxoethyl]heptadecanamide?
N-[2-[3-benzoyl-4-[[2-(4-methylphenyl)acetyl]amino]anilino]-2-oxoethyl]heptadecanamide has a molecular weight of 653.91 g/mol, XLogP of 9.33, 23 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-benzoyl-4-[[2-(4-methylphenyl)acetyl]amino]anilino]-2-oxoethyl]heptadecanamide is sourced from PubChem (CID 10283110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).