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

C19H29N3O3 — CID 90581640

IUPACN'-cycloheptyl-N-[2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]oxamide
SMILESCN(C)c1ccc(C(O)CNC(=O)C(=O)NC2CCCCCC2)cc1
InChIInChI=1S/C19H29N3O3/c1-22(2)16-11-9-14(10-12-16)17(23)13-20-18(24)19(25)21-15-7-5-3-4-6-8-15/h9-12,15,17,23H,3-8,13H2,1-2H3,(H,20,24)(H,21,25)
InChIKeyZMTXUYMYBNGJDU-UHFFFAOYSA-N
MW347.46 g/mol
LogP1.74
Rot. Bonds5

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

N'-cycloheptyl-N-[2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]oxamide (PubChem CID 90581640) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is N'-cycloheptyl-N-[2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]oxamide.

Molecular Properties

Compound NameN'-cycloheptyl-N-[2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]oxamide
PubChem CID90581640
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC NameN'-cycloheptyl-N-[2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]oxamide
SMILESCN(C)c1ccc(C(O)CNC(=O)C(=O)NC2CCCCCC2)cc1
InChIInChI=1S/C19H29N3O3/c1-22(2)16-11-9-14(10-12-16)17(23)13-20-18(24)19(25)21-15-7-5-3-4-6-8-15/h9-12,15,17,23H,3-8,13H2,1-2H3,(H,20,24)(H,21,25)
InChIKeyZMTXUYMYBNGJDU-UHFFFAOYSA-N
XLogP1.74
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 51.74
H-Bond Donors ≤ 53
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-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]oxamide
CID 18583526
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'-cyclopentyl-N-[(2S)-2-[4-(dimethylamino)phenyl]-2-(4-methylpiperazin-1-yl)ethyl]oxamide
CID 7645074
N'-[2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]-N-(2-methylpropyl)oxamide
CID 90581629
N'-cyclopentyl-N-[(2R)-2-(furan-3-yl)-2-hydroxyethyl]oxamide
CID 95986740
N-cyclohexyl-N'-[4-(dimethylamino)phenyl]oxamide
CID 7585513
N-[2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]-N'-(2,2,2-trifluoroethyl)oxamide
CID 90581699
N'-cycloheptyl-N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]oxamide
CID 121179980
N'-cyclopentyl-N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-(dimethylamino)phenyl]ethyl]oxamide
CID 41398309
N-[(2R)-2-(benzenesulfonyl)-2-[4-(dimethylamino)phenyl]ethyl]-N'-cyclopropyloxamide
CID 9159516
N'-cyclopentyl-N-[(2R)-2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]oxamide
CID 129373749

Frequently Asked Questions

What is the IUPAC name of N'-cycloheptyl-N-[2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]oxamide?
The IUPAC name of N'-cycloheptyl-N-[2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]oxamide (CID 90581640) is N'-cycloheptyl-N-[2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]oxamide.
What is the SMILES notation for N'-cycloheptyl-N-[2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]oxamide?
The canonical SMILES for N'-cycloheptyl-N-[2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]oxamide is CN(C)c1ccc(C(O)CNC(=O)C(=O)NC2CCCCCC2)cc1.
What is the InChIKey of N'-cycloheptyl-N-[2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]oxamide?
The InChIKey is ZMTXUYMYBNGJDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-22(2)16-11-9-14(10-12-16)17(23)13-20-18(24)19(25)21-15-7-5-3-4-6-8-15/h9-12,15,17,23H,3-8,13H2,1-2H3,(H,20,24)(H,21,25).
What are the key properties of N'-cycloheptyl-N-[2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]oxamide?
N'-cycloheptyl-N-[2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]oxamide has a molecular weight of 347.46 g/mol, XLogP of 1.74, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cycloheptyl-N-[2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]oxamide is sourced from PubChem (CID 90581640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).