N-[3-[[2-oxo-2-(2-propan-2-ylanilino)ethyl]amino]phenyl]hexanamide

C23H31N3O2 — CID 54841082

IUPACN-[3-[[2-oxo-2-(2-propan-2-ylanilino)ethyl]amino]phenyl]hexanamide
SMILESCCCCCC(=O)Nc1cccc(NCC(=O)Nc2ccccc2C(C)C)c1
InChIInChI=1S/C23H31N3O2/c1-4-5-6-14-22(27)25-19-11-9-10-18(15-19)24-16-23(28)26-21-13-8-7-12-20(21)17(2)3/h7-13,15,17,24H,4-6,14,16H2,1-3H3,(H,25,27)(H,26,28)
InChIKeyCAXGLZXQIAENCA-UHFFFAOYSA-N
MW381.52 g/mol
LogP5.38
Rot. Bonds10

About N-[3-[[2-oxo-2-(2-propan-2-ylanilino)ethyl]amino]phenyl]hexanamide

N-[3-[[2-oxo-2-(2-propan-2-ylanilino)ethyl]amino]phenyl]hexanamide (PubChem CID 54841082) has the molecular formula C23H31N3O2 and a molecular weight of 381.52 g/mol. Its IUPAC name is N-[3-[[2-oxo-2-(2-propan-2-ylanilino)ethyl]amino]phenyl]hexanamide.

Molecular Properties

Compound NameN-[3-[[2-oxo-2-(2-propan-2-ylanilino)ethyl]amino]phenyl]hexanamide
PubChem CID54841082
Molecular FormulaC23H31N3O2
Molecular Weight381.52 g/mol
Exact Mass381.24
IUPAC NameN-[3-[[2-oxo-2-(2-propan-2-ylanilino)ethyl]amino]phenyl]hexanamide
SMILESCCCCCC(=O)Nc1cccc(NCC(=O)Nc2ccccc2C(C)C)c1
InChIInChI=1S/C23H31N3O2/c1-4-5-6-14-22(27)25-19-11-9-10-18(15-19)24-16-23(28)26-21-13-8-7-12-20(21)17(2)3/h7-13,15,17,24H,4-6,14,16H2,1-3H3,(H,25,27)(H,26,28)
InChIKeyCAXGLZXQIAENCA-UHFFFAOYSA-N
XLogP5.38
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.52
LogP ≤ 55.38
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

N-[3-[[2-(2-fluoroanilino)-2-oxoethyl]amino]phenyl]hexanamide
CID 54842530
2-(3-acetylanilino)-N-(2-propan-2-ylphenyl)acetamide
CID 18096583
N-[3-[[2-(4-acetamidoanilino)-2-oxoethyl]amino]phenyl]hexanamide
CID 54842590
N-[3-[[2-(2-ethoxyanilino)acetyl]amino]phenyl]hexanamide
CID 54817487
3-[[2-oxo-2-(2-propan-2-ylanilino)ethyl]amino]benzamide
CID 54842293
N-[3-[[2-(3,5-dichloroanilino)acetyl]amino]phenyl]hexanamide
CID 54813231
2-(naphthalen-2-ylamino)-N-(2-propan-2-ylphenyl)acetamide
CID 26506452
N-[3-[[2-(3-chloro-2-methylanilino)acetyl]amino]phenyl]hexanamide
CID 54815058
N-(3-acetamidophenyl)-N'-(2-propan-2-ylphenyl)propanediamide
CID 108954290
N-[3-[[2-(2-propan-2-ylanilino)acetyl]amino]phenyl]benzamide
CID 54823438
N-[2-(1-chloroethyl)phenyl]hexanamide
CID 114304795
N-[3-[[2-oxo-2-(2-phenylethylamino)ethyl]amino]phenyl]hexanamide
CID 54842658

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-oxo-2-(2-propan-2-ylanilino)ethyl]amino]phenyl]hexanamide?
The IUPAC name of N-[3-[[2-oxo-2-(2-propan-2-ylanilino)ethyl]amino]phenyl]hexanamide (CID 54841082) is N-[3-[[2-oxo-2-(2-propan-2-ylanilino)ethyl]amino]phenyl]hexanamide.
What is the SMILES notation for N-[3-[[2-oxo-2-(2-propan-2-ylanilino)ethyl]amino]phenyl]hexanamide?
The canonical SMILES for N-[3-[[2-oxo-2-(2-propan-2-ylanilino)ethyl]amino]phenyl]hexanamide is CCCCCC(=O)Nc1cccc(NCC(=O)Nc2ccccc2C(C)C)c1.
What is the InChIKey of N-[3-[[2-oxo-2-(2-propan-2-ylanilino)ethyl]amino]phenyl]hexanamide?
The InChIKey is CAXGLZXQIAENCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O2/c1-4-5-6-14-22(27)25-19-11-9-10-18(15-19)24-16-23(28)26-21-13-8-7-12-20(21)17(2)3/h7-13,15,17,24H,4-6,14,16H2,1-3H3,(H,25,27)(H,26,28).
What are the key properties of N-[3-[[2-oxo-2-(2-propan-2-ylanilino)ethyl]amino]phenyl]hexanamide?
N-[3-[[2-oxo-2-(2-propan-2-ylanilino)ethyl]amino]phenyl]hexanamide has a molecular weight of 381.52 g/mol, XLogP of 5.38, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-oxo-2-(2-propan-2-ylanilino)ethyl]amino]phenyl]hexanamide is sourced from PubChem (CID 54841082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).