N,N-bis[2-[[2-(benzylamino)-2-oxoethyl]-[2-oxo-2-(2-phenylethylamino)ethyl]amino]-2-oxoethyl]hex-5-enamide

C48H57N7O7 — CID 10533552

IUPACN,N-bis[2-[[2-(benzylamino)-2-oxoethyl]-[2-oxo-2-(2-phenylethylamino)ethyl]amino]-2-oxoethyl]hex-5-enamide
SMILESC=CCCCC(=O)N(CC(=O)N(CC(=O)NCCc1ccccc1)CC(=O)NCc1ccccc1)CC(=O)N(CC(=O)NCCc1ccccc1)CC(=O)NCc1ccccc1
InChIInChI=1S/C48H57N7O7/c1-2-3-8-25-46(60)55(36-47(61)53(34-44(58)51-30-40-21-13-6-14-22-40)32-42(56)49-28-26-38-17-9-4-10-18-38)37-48(62)54(35-45(59)52-31-41-23-15-7-16-24-41)33-43(57)50-29-27-39-19-11-5-12-20-39/h2,4-7,9-24H,1,3,8,25-37H2,(H,49,56)(H,50,57)(H,51,58)(H,52,59)
InChIKeyDZBAOQMYGGARPO-UHFFFAOYSA-N
MW844.03 g/mol
LogP3.18
Rot. Bonds26

About N,N-bis[2-[[2-(benzylamino)-2-oxoethyl]-[2-oxo-2-(2-phenylethylamino)ethyl]amino]-2-oxoethyl]hex-5-enamide

N,N-bis[2-[[2-(benzylamino)-2-oxoethyl]-[2-oxo-2-(2-phenylethylamino)ethyl]amino]-2-oxoethyl]hex-5-enamide (PubChem CID 10533552) has the molecular formula C48H57N7O7 and a molecular weight of 844.03 g/mol. Its IUPAC name is N,N-bis[2-[[2-(benzylamino)-2-oxoethyl]-[2-oxo-2-(2-phenylethylamino)ethyl]amino]-2-oxoethyl]hex-5-enamide.

Molecular Properties

Compound NameN,N-bis[2-[[2-(benzylamino)-2-oxoethyl]-[2-oxo-2-(2-phenylethylamino)ethyl]amino]-2-oxoethyl]hex-5-enamide
PubChem CID10533552
Molecular FormulaC48H57N7O7
Molecular Weight844.03 g/mol
Exact Mass843.43
IUPAC NameN,N-bis[2-[[2-(benzylamino)-2-oxoethyl]-[2-oxo-2-(2-phenylethylamino)ethyl]amino]-2-oxoethyl]hex-5-enamide
SMILESC=CCCCC(=O)N(CC(=O)N(CC(=O)NCCc1ccccc1)CC(=O)NCc1ccccc1)CC(=O)N(CC(=O)NCCc1ccccc1)CC(=O)NCc1ccccc1
InChIInChI=1S/C48H57N7O7/c1-2-3-8-25-46(60)55(36-47(61)53(34-44(58)51-30-40-21-13-6-14-22-40)32-42(56)49-28-26-38-17-9-4-10-18-38)37-48(62)54(35-45(59)52-31-41-23-15-7-16-24-41)33-43(57)50-29-27-39-19-11-5-12-20-39/h2,4-7,9-24H,1,3,8,25-37H2,(H,49,56)(H,50,57)(H,51,58)(H,52,59)
InChIKeyDZBAOQMYGGARPO-UHFFFAOYSA-N
XLogP3.18
TPSA177.33 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds26
Heavy Atoms62
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500844.03
LogP ≤ 53.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N,N-bis[2-[[2-(benzylamino)-2-oxoethyl]-[2-oxo-2-(2-phenylethylamino)ethyl]amino]-2-oxoethyl]hex-5-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-phenylethyl)undec-10-enamide
CID 3930064
N-(2-anilino-2-oxoethyl)-7-(hydroxyamino)-N-[2-oxo-2-(2-phenylethylamino)ethyl]heptanamide
CID 143059146
3-[[2-(benzylamino)-2-oxoethyl]-prop-2-enylamino]propanoic acid
CID 82326878
4-phenyl-N-(2-phenylethyl)butanamide;propane
CID 143447835
prop-2-enyl N-[4-oxo-4-(2-phenylethylamino)butyl]carbamate
CID 155534232
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-3-phenylpropanamide
CID 2450018
N,N'-bis[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-N,N'-bis[2-oxo-2-(3-phenylpropylamino)ethyl]-2-pent-4-enylbutanediamide
CID 58831481
3-(benzylamino)-N-(2-phenylethyl)propanamide
CID 109018924
N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]-N-methyldec-9-enamide
CID 102203666
N-[2-(4-fluorophenyl)ethyl]-4-phenylbutanamide
CID 2288121
methyl N-methoxycarbonyl-N-[2-oxo-2-(2-phenylethylamino)ethyl]carbamate
CID 122198754
benzylbenzene;hex-5-enoic acid
CID 70412455

Frequently Asked Questions

What is the IUPAC name of N,N-bis[2-[[2-(benzylamino)-2-oxoethyl]-[2-oxo-2-(2-phenylethylamino)ethyl]amino]-2-oxoethyl]hex-5-enamide?
The IUPAC name of N,N-bis[2-[[2-(benzylamino)-2-oxoethyl]-[2-oxo-2-(2-phenylethylamino)ethyl]amino]-2-oxoethyl]hex-5-enamide (CID 10533552) is N,N-bis[2-[[2-(benzylamino)-2-oxoethyl]-[2-oxo-2-(2-phenylethylamino)ethyl]amino]-2-oxoethyl]hex-5-enamide.
What is the SMILES notation for N,N-bis[2-[[2-(benzylamino)-2-oxoethyl]-[2-oxo-2-(2-phenylethylamino)ethyl]amino]-2-oxoethyl]hex-5-enamide?
The canonical SMILES for N,N-bis[2-[[2-(benzylamino)-2-oxoethyl]-[2-oxo-2-(2-phenylethylamino)ethyl]amino]-2-oxoethyl]hex-5-enamide is C=CCCCC(=O)N(CC(=O)N(CC(=O)NCCc1ccccc1)CC(=O)NCc1ccccc1)CC(=O)N(CC(=O)NCCc1ccccc1)CC(=O)NCc1ccccc1.
What is the InChIKey of N,N-bis[2-[[2-(benzylamino)-2-oxoethyl]-[2-oxo-2-(2-phenylethylamino)ethyl]amino]-2-oxoethyl]hex-5-enamide?
The InChIKey is DZBAOQMYGGARPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H57N7O7/c1-2-3-8-25-46(60)55(36-47(61)53(34-44(58)51-30-40-21-13-6-14-22-40)32-42(56)49-28-26-38-17-9-4-10-18-38)37-48(62)54(35-45(59)52-31-41-23-15-7-16-24-41)33-43(57)50-29-27-39-19-11-5-12-20-39/h2,4-7,9-24H,1,3,8,25-37H2,(H,49,56)(H,50,57)(H,51,58)(H,52,59).
What are the key properties of N,N-bis[2-[[2-(benzylamino)-2-oxoethyl]-[2-oxo-2-(2-phenylethylamino)ethyl]amino]-2-oxoethyl]hex-5-enamide?
N,N-bis[2-[[2-(benzylamino)-2-oxoethyl]-[2-oxo-2-(2-phenylethylamino)ethyl]amino]-2-oxoethyl]hex-5-enamide has a molecular weight of 844.03 g/mol, XLogP of 3.18, 26 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[2-[[2-(benzylamino)-2-oxoethyl]-[2-oxo-2-(2-phenylethylamino)ethyl]amino]-2-oxoethyl]hex-5-enamide is sourced from PubChem (CID 10533552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).