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

C22H29N3O2 — CID 54842658

IUPACN-[3-[[2-oxo-2-(2-phenylethylamino)ethyl]amino]phenyl]hexanamide
SMILESCCCCCC(=O)Nc1cccc(NCC(=O)NCCc2ccccc2)c1
InChIInChI=1S/C22H29N3O2/c1-2-3-5-13-21(26)25-20-12-8-11-19(16-20)24-17-22(27)23-15-14-18-9-6-4-7-10-18/h4,6-12,16,24H,2-3,5,13-15,17H2,1H3,(H,23,27)(H,25,26)
InChIKeyMAPJPRUMSNNZHO-UHFFFAOYSA-N
MW367.49 g/mol
LogP3.98
Rot. Bonds11

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

N-[3-[[2-oxo-2-(2-phenylethylamino)ethyl]amino]phenyl]hexanamide (PubChem CID 54842658) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is N-[3-[[2-oxo-2-(2-phenylethylamino)ethyl]amino]phenyl]hexanamide.

Molecular Properties

Compound NameN-[3-[[2-oxo-2-(2-phenylethylamino)ethyl]amino]phenyl]hexanamide
PubChem CID54842658
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC NameN-[3-[[2-oxo-2-(2-phenylethylamino)ethyl]amino]phenyl]hexanamide
SMILESCCCCCC(=O)Nc1cccc(NCC(=O)NCCc2ccccc2)c1
InChIInChI=1S/C22H29N3O2/c1-2-3-5-13-21(26)25-20-12-8-11-19(16-20)24-17-22(27)23-15-14-18-9-6-4-7-10-18/h4,6-12,16,24H,2-3,5,13-15,17H2,1H3,(H,23,27)(H,25,26)
InChIKeyMAPJPRUMSNNZHO-UHFFFAOYSA-N
XLogP3.98
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 53.98
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-benzyl-3-[[2-[3-(hexanoylamino)anilino]acetyl]amino]-N-methylbenzamide
CID 54841033
N-butyl-3-[[2-[3-(3-phenylpropanoylamino)anilino]acetyl]amino]benzamide
CID 54837288
N-[3-[[2-[4-(3-phenylpropoxy)anilino]acetyl]amino]phenyl]hexanamide
CID 54825283
N-[3-[[2-(4-acetamidoanilino)-2-oxoethyl]amino]phenyl]hexanamide
CID 54842590
N-[3-[[2-oxo-2-[4-(propanoylamino)anilino]ethyl]amino]phenyl]-3-phenylpropanamide
CID 54837505
N-[3-[[2-(2-fluoroanilino)-2-oxoethyl]amino]phenyl]hexanamide
CID 54842530
N-[4-chloro-3-[[2-oxo-2-(2-phenylethylamino)ethyl]amino]phenyl]butanamide
CID 54831228
N-[3-[[2-(3,5-dichloroanilino)acetyl]amino]phenyl]hexanamide
CID 54813231
N-[3-[[2-(2-phenylmethoxyanilino)acetyl]amino]phenyl]hexanamide
CID 54828090
N-[3-[[3-(hexanoylamino)phenyl]methyl]phenyl]hexanamide
CID 101187552
N-[3-[[2-oxo-2-(2-propan-2-ylanilino)ethyl]amino]phenyl]hexanamide
CID 54841082
N-[3-[[2-[4-(2-phenoxyethoxy)anilino]acetyl]amino]phenyl]hexanamide
CID 54822717

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-oxo-2-(2-phenylethylamino)ethyl]amino]phenyl]hexanamide?
The IUPAC name of N-[3-[[2-oxo-2-(2-phenylethylamino)ethyl]amino]phenyl]hexanamide (CID 54842658) is N-[3-[[2-oxo-2-(2-phenylethylamino)ethyl]amino]phenyl]hexanamide.
What is the SMILES notation for N-[3-[[2-oxo-2-(2-phenylethylamino)ethyl]amino]phenyl]hexanamide?
The canonical SMILES for N-[3-[[2-oxo-2-(2-phenylethylamino)ethyl]amino]phenyl]hexanamide is CCCCCC(=O)Nc1cccc(NCC(=O)NCCc2ccccc2)c1.
What is the InChIKey of N-[3-[[2-oxo-2-(2-phenylethylamino)ethyl]amino]phenyl]hexanamide?
The InChIKey is MAPJPRUMSNNZHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-2-3-5-13-21(26)25-20-12-8-11-19(16-20)24-17-22(27)23-15-14-18-9-6-4-7-10-18/h4,6-12,16,24H,2-3,5,13-15,17H2,1H3,(H,23,27)(H,25,26).
What are the key properties of N-[3-[[2-oxo-2-(2-phenylethylamino)ethyl]amino]phenyl]hexanamide?
N-[3-[[2-oxo-2-(2-phenylethylamino)ethyl]amino]phenyl]hexanamide has a molecular weight of 367.49 g/mol, XLogP of 3.98, 11 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-phenylethylamino)ethyl]amino]phenyl]hexanamide is sourced from PubChem (CID 54842658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).