N-(2-anilino-2-oxoethyl)-7-(hydroxyamino)-N-[2-oxo-2-(2-phenylethylamino)ethyl]heptanamide

C25H34N4O4 — CID 143059146

IUPACN-(2-anilino-2-oxoethyl)-7-(hydroxyamino)-N-[2-oxo-2-(2-phenylethylamino)ethyl]heptanamide
SMILESO=C(CN(CC(=O)Nc1ccccc1)C(=O)CCCCCCNO)NCCc1ccccc1
InChIInChI=1S/C25H34N4O4/c30-23(26-18-16-21-11-5-3-6-12-21)19-29(25(32)15-9-1-2-10-17-27-33)20-24(31)28-22-13-7-4-8-14-22/h3-8,11-14,27,33H,1-2,9-10,15-20H2,(H,26,30)(H,28,31)
InChIKeyWWSQQEVLPDROHA-UHFFFAOYSA-N
MW454.57 g/mol
LogP2.74
Rot. Bonds15

About N-(2-anilino-2-oxoethyl)-7-(hydroxyamino)-N-[2-oxo-2-(2-phenylethylamino)ethyl]heptanamide

N-(2-anilino-2-oxoethyl)-7-(hydroxyamino)-N-[2-oxo-2-(2-phenylethylamino)ethyl]heptanamide (PubChem CID 143059146) has the molecular formula C25H34N4O4 and a molecular weight of 454.57 g/mol. Its IUPAC name is N-(2-anilino-2-oxoethyl)-7-(hydroxyamino)-N-[2-oxo-2-(2-phenylethylamino)ethyl]heptanamide.

Molecular Properties

Compound NameN-(2-anilino-2-oxoethyl)-7-(hydroxyamino)-N-[2-oxo-2-(2-phenylethylamino)ethyl]heptanamide
PubChem CID143059146
Molecular FormulaC25H34N4O4
Molecular Weight454.57 g/mol
Exact Mass454.26
IUPAC NameN-(2-anilino-2-oxoethyl)-7-(hydroxyamino)-N-[2-oxo-2-(2-phenylethylamino)ethyl]heptanamide
SMILESO=C(CN(CC(=O)Nc1ccccc1)C(=O)CCCCCCNO)NCCc1ccccc1
InChIInChI=1S/C25H34N4O4/c30-23(26-18-16-21-11-5-3-6-12-21)19-29(25(32)15-9-1-2-10-17-27-33)20-24(31)28-22-13-7-4-8-14-22/h3-8,11-14,27,33H,1-2,9-10,15-20H2,(H,26,30)(H,28,31)
InChIKeyWWSQQEVLPDROHA-UHFFFAOYSA-N
XLogP2.74
TPSA110.77 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.57
LogP ≤ 52.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N,N-bis[2-[[2-(benzylamino)-2-oxoethyl]-[2-oxo-2-(2-phenylethylamino)ethyl]amino]-2-oxoethyl]hex-5-enamide
CID 10533552
2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]-N-(2-phenylethyl)acetamide
CID 18078825
2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-N-(3-phenylpropyl)acetamide
CID 8729406
2-(2-anilino-2-oxoethyl)sulfanyl-N-(2-phenylethyl)acetamide
CID 7574875
6-[[2-[[2-oxo-2-(6-oxoheptylamino)ethyl]-[2-oxo-2-(4-oxopentylamino)ethyl]amino]acetyl]amino]-N-phenylhexanamide
CID 118017030
6-chloro-N-(2-phenylethyl)hexanamide
CID 154710700
8-(4-phenylbutanoylamino)octanoic acid
CID 71129906
N-(2-phenylethyl)-4-(3-phenylpropanoylamino)benzamide
CID 1296529
4-phenyl-N-(2-phenylethyl)butanamide;propane
CID 143447835
6-[[2-[[2-(5-carboxypentylamino)-2-oxoethyl]-[2-(phenylmethoxycarbonylamino)acetyl]amino]acetyl]amino]hexanoic acid
CID 70864893
2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-N-(2-phenylethyl)acetamide
CID 27244251
5-(4-bromophenyl)-N-(2-phenylethyl)pentanamide
CID 55752390

Frequently Asked Questions

What is the IUPAC name of N-(2-anilino-2-oxoethyl)-7-(hydroxyamino)-N-[2-oxo-2-(2-phenylethylamino)ethyl]heptanamide?
The IUPAC name of N-(2-anilino-2-oxoethyl)-7-(hydroxyamino)-N-[2-oxo-2-(2-phenylethylamino)ethyl]heptanamide (CID 143059146) is N-(2-anilino-2-oxoethyl)-7-(hydroxyamino)-N-[2-oxo-2-(2-phenylethylamino)ethyl]heptanamide.
What is the SMILES notation for N-(2-anilino-2-oxoethyl)-7-(hydroxyamino)-N-[2-oxo-2-(2-phenylethylamino)ethyl]heptanamide?
The canonical SMILES for N-(2-anilino-2-oxoethyl)-7-(hydroxyamino)-N-[2-oxo-2-(2-phenylethylamino)ethyl]heptanamide is O=C(CN(CC(=O)Nc1ccccc1)C(=O)CCCCCCNO)NCCc1ccccc1.
What is the InChIKey of N-(2-anilino-2-oxoethyl)-7-(hydroxyamino)-N-[2-oxo-2-(2-phenylethylamino)ethyl]heptanamide?
The InChIKey is WWSQQEVLPDROHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O4/c30-23(26-18-16-21-11-5-3-6-12-21)19-29(25(32)15-9-1-2-10-17-27-33)20-24(31)28-22-13-7-4-8-14-22/h3-8,11-14,27,33H,1-2,9-10,15-20H2,(H,26,30)(H,28,31).
What are the key properties of N-(2-anilino-2-oxoethyl)-7-(hydroxyamino)-N-[2-oxo-2-(2-phenylethylamino)ethyl]heptanamide?
N-(2-anilino-2-oxoethyl)-7-(hydroxyamino)-N-[2-oxo-2-(2-phenylethylamino)ethyl]heptanamide has a molecular weight of 454.57 g/mol, XLogP of 2.74, 15 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-anilino-2-oxoethyl)-7-(hydroxyamino)-N-[2-oxo-2-(2-phenylethylamino)ethyl]heptanamide is sourced from PubChem (CID 143059146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).