4-[[2-(hexadecylamino)-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide

C33H51N3O2 — CID 54846255

IUPAC4-[[2-(hexadecylamino)-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide
SMILESCCCCCCCCCCCCCCCCNC(=O)CNc1ccc(C(=O)NC(C)c2ccccc2)cc1
InChIInChI=1S/C33H51N3O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19-26-34-32(37)27-35-31-24-22-30(23-25-31)33(38)36-28(2)29-20-17-16-18-21-29/h16-18,20-25,28,35H,3-15,19,26-27H2,1-2H3,(H,34,37)(H,36,38)
InChIKeyVOSNHVYEQKXGGO-UHFFFAOYSA-N
MW521.79 g/mol
LogP8.19
Rot. Bonds21

About 4-[[2-(hexadecylamino)-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide

4-[[2-(hexadecylamino)-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide (PubChem CID 54846255) has the molecular formula C33H51N3O2 and a molecular weight of 521.79 g/mol. Its IUPAC name is 4-[[2-(hexadecylamino)-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide.

Molecular Properties

Compound Name4-[[2-(hexadecylamino)-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide
PubChem CID54846255
Molecular FormulaC33H51N3O2
Molecular Weight521.79 g/mol
Exact Mass521.40
IUPAC Name4-[[2-(hexadecylamino)-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide
SMILESCCCCCCCCCCCCCCCCNC(=O)CNc1ccc(C(=O)NC(C)c2ccccc2)cc1
InChIInChI=1S/C33H51N3O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19-26-34-32(37)27-35-31-24-22-30(23-25-31)33(38)36-28(2)29-20-17-16-18-21-29/h16-18,20-25,28,35H,3-15,19,26-27H2,1-2H3,(H,34,37)(H,36,38)
InChIKeyVOSNHVYEQKXGGO-UHFFFAOYSA-N
XLogP8.19
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds21
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.79
LogP ≤ 58.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[[2-(hexadecylamino)-2-oxoethyl]amino]-N-propan-2-ylbenzamide
CID 54840779
4-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(1-phenylethyl)benzamide
CID 54846054
N-benzyl-4-[[2-(heptylamino)-2-oxoethyl]amino]benzamide
CID 54843793
N-ethyl-4-[[2-(heptylamino)-2-oxoethyl]amino]benzamide
CID 54839527
N-methyl-4-[[2-oxo-2-(1-phenylethylamino)ethyl]amino]benzamide
CID 54846211
4-[[2-(3,4-dimethylanilino)-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide
CID 54846371
N-(1-phenylethyl)-3-[[2-[4-(propylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54836161
4-heptyl-N-(1-phenylethyl)benzamide
CID 4027314
4-[[2-(4-fluoroanilino)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 54813381
4-[[2-[4-[methyl(phenyl)carbamoyl]anilino]acetyl]amino]-N-(1-phenylethyl)benzamide
CID 54838229
4-[[2-oxo-2-(1-phenylethylamino)ethyl]amino]-N,N-dipropylbenzamide
CID 54832017
N-[4-[[2-(heptylamino)-2-oxoethyl]amino]phenyl]propanamide
CID 54835584

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(hexadecylamino)-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide?
The IUPAC name of 4-[[2-(hexadecylamino)-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide (CID 54846255) is 4-[[2-(hexadecylamino)-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide.
What is the SMILES notation for 4-[[2-(hexadecylamino)-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide?
The canonical SMILES for 4-[[2-(hexadecylamino)-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide is CCCCCCCCCCCCCCCCNC(=O)CNc1ccc(C(=O)NC(C)c2ccccc2)cc1.
What is the InChIKey of 4-[[2-(hexadecylamino)-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide?
The InChIKey is VOSNHVYEQKXGGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H51N3O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19-26-34-32(37)27-35-31-24-22-30(23-25-31)33(38)36-28(2)29-20-17-16-18-21-29/h16-18,20-25,28,35H,3-15,19,26-27H2,1-2H3,(H,34,37)(H,36,38).
What are the key properties of 4-[[2-(hexadecylamino)-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide?
4-[[2-(hexadecylamino)-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide has a molecular weight of 521.79 g/mol, XLogP of 8.19, 21 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(hexadecylamino)-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide is sourced from PubChem (CID 54846255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).