N'-cycloheptyl-N-[2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]oxamide

C21H34N4O2 — CID 18583526

IUPACN'-cycloheptyl-N-[2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]oxamide
SMILESCN(C)c1ccc(C(CNC(=O)C(=O)NC2CCCCCC2)N(C)C)cc1
InChIInChI=1S/C21H34N4O2/c1-24(2)18-13-11-16(12-14-18)19(25(3)4)15-22-20(26)21(27)23-17-9-7-5-6-8-10-17/h11-14,17,19H,5-10,15H2,1-4H3,(H,22,26)(H,23,27)
InChIKeyWCFNTLLLYHVJMG-UHFFFAOYSA-N
MW374.53 g/mol
LogP2.31
Rot. Bonds6

About N'-cycloheptyl-N-[2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]oxamide

N'-cycloheptyl-N-[2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]oxamide (PubChem CID 18583526) has the molecular formula C21H34N4O2 and a molecular weight of 374.53 g/mol. Its IUPAC name is N'-cycloheptyl-N-[2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]oxamide.

Molecular Properties

Compound NameN'-cycloheptyl-N-[2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]oxamide
PubChem CID18583526
Molecular FormulaC21H34N4O2
Molecular Weight374.53 g/mol
Exact Mass374.27
IUPAC NameN'-cycloheptyl-N-[2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]oxamide
SMILESCN(C)c1ccc(C(CNC(=O)C(=O)NC2CCCCCC2)N(C)C)cc1
InChIInChI=1S/C21H34N4O2/c1-24(2)18-13-11-16(12-14-18)19(25(3)4)15-22-20(26)21(27)23-17-9-7-5-6-8-10-17/h11-14,17,19H,5-10,15H2,1-4H3,(H,22,26)(H,23,27)
InChIKeyWCFNTLLLYHVJMG-UHFFFAOYSA-N
XLogP2.31
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.53
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N'-cycloheptyl-N-[2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]oxamide
CID 90581640
N'-cyclopentyl-N-[(2S)-2-[4-(dimethylamino)phenyl]-2-(4-methylpiperazin-1-yl)ethyl]oxamide
CID 7645074
N'-cycloheptyl-N-[(2S)-2-(dimethylamino)-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]oxamide
CID 40890450
N'-cyclohexyl-N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]oxamide
CID 30834974
N'-(2,2-diethoxyethyl)-N-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]oxamide
CID 7639297
N'-cyclopentyl-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]oxamide
CID 41454031
N'-cyclopentyl-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]oxamide
CID 18589097
1-cyclopentyl-3-[(2S)-2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]urea
CID 97106056
1-cyclopentyl-3-[2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]urea
CID 71803751
N-cyclohexyl-N'-[4-(dimethylamino)phenyl]oxamide
CID 7585513
N'-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-N-prop-2-enyloxamide
CID 7639168
N'-cyclopentyl-N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-(dimethylamino)phenyl]ethyl]oxamide
CID 41398309

Frequently Asked Questions

What is the IUPAC name of N'-cycloheptyl-N-[2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]oxamide?
The IUPAC name of N'-cycloheptyl-N-[2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]oxamide (CID 18583526) is N'-cycloheptyl-N-[2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]oxamide.
What is the SMILES notation for N'-cycloheptyl-N-[2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]oxamide?
The canonical SMILES for N'-cycloheptyl-N-[2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]oxamide is CN(C)c1ccc(C(CNC(=O)C(=O)NC2CCCCCC2)N(C)C)cc1.
What is the InChIKey of N'-cycloheptyl-N-[2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]oxamide?
The InChIKey is WCFNTLLLYHVJMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N4O2/c1-24(2)18-13-11-16(12-14-18)19(25(3)4)15-22-20(26)21(27)23-17-9-7-5-6-8-10-17/h11-14,17,19H,5-10,15H2,1-4H3,(H,22,26)(H,23,27).
What are the key properties of N'-cycloheptyl-N-[2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]oxamide?
N'-cycloheptyl-N-[2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]oxamide has a molecular weight of 374.53 g/mol, XLogP of 2.31, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cycloheptyl-N-[2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]oxamide is sourced from PubChem (CID 18583526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).