N'-[4-(dimethylamino)phenyl]-N-[[(2S)-oxolan-2-yl]methyl]oxamide

C15H21N3O3 — CID 7585533

IUPACN'-[4-(dimethylamino)phenyl]-N-[[(2S)-oxolan-2-yl]methyl]oxamide
SMILESCN(C)c1ccc(NC(=O)C(=O)NC[C@@H]2CCCO2)cc1
InChIInChI=1S/C15H21N3O3/c1-18(2)12-7-5-11(6-8-12)17-15(20)14(19)16-10-13-4-3-9-21-13/h5-8,13H,3-4,9-10H2,1-2H3,(H,16,19)(H,17,20)/t13-/m0/s1
InChIKeyGDRZLQZKNXIOFU-ZDUSSCGKSA-N
MW291.35 g/mol
LogP0.99
Rot. Bonds4

About N'-[4-(dimethylamino)phenyl]-N-[[(2S)-oxolan-2-yl]methyl]oxamide

N'-[4-(dimethylamino)phenyl]-N-[[(2S)-oxolan-2-yl]methyl]oxamide (PubChem CID 7585533) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is N'-[4-(dimethylamino)phenyl]-N-[[(2S)-oxolan-2-yl]methyl]oxamide.

Molecular Properties

Compound NameN'-[4-(dimethylamino)phenyl]-N-[[(2S)-oxolan-2-yl]methyl]oxamide
PubChem CID7585533
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC NameN'-[4-(dimethylamino)phenyl]-N-[[(2S)-oxolan-2-yl]methyl]oxamide
SMILESCN(C)c1ccc(NC(=O)C(=O)NC[C@@H]2CCCO2)cc1
InChIInChI=1S/C15H21N3O3/c1-18(2)12-7-5-11(6-8-12)17-15(20)14(19)16-10-13-4-3-9-21-13/h5-8,13H,3-4,9-10H2,1-2H3,(H,16,19)(H,17,20)/t13-/m0/s1
InChIKeyGDRZLQZKNXIOFU-ZDUSSCGKSA-N
XLogP0.99
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N'-(4-acetamidophenyl)-N-[[(2S)-oxolan-2-yl]methyl]oxamide
CID 7379139
1-[4-(dimethylamino)phenyl]-3-[[(2R)-oxolan-2-yl]methyl]thiourea
CID 841681
N-[4-(dimethylamino)phenyl]-2,2-dimethyl-N'-(oxolan-2-ylmethyl)propanediamide
CID 108960126
N-(oxolan-2-ylmethyl)-N'-phenyloxamide
CID 3114289
N'-(4-methoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]oxamide
CID 2037808
N-[[(2R)-oxolan-2-yl]methyl]-N'-pyridin-4-yloxamide
CID 41453086
N-[4-(dimethylamino)phenyl]-2-(oxolan-2-yl)acetamide
CID 110696648
N'-[2-(dimethylamino)phenyl]-N-(oxolan-2-ylmethyl)oxamide
CID 86995334
N'-(4-nitrophenyl)-N-[[(2S)-oxolan-2-yl]methyl]oxamide
CID 7323851
N-(oxolan-2-ylmethyl)-N'-(4-propoxyphenyl)oxamide
CID 2926686
N'-(3-chloro-4-methylphenyl)-N-[[(2S)-oxolan-2-yl]methyl]oxamide
CID 7256111
4-(dimethylamino)-N-(oxolan-2-ylmethyl)benzenecarbothioamide
CID 2983117

Frequently Asked Questions

What is the IUPAC name of N'-[4-(dimethylamino)phenyl]-N-[[(2S)-oxolan-2-yl]methyl]oxamide?
The IUPAC name of N'-[4-(dimethylamino)phenyl]-N-[[(2S)-oxolan-2-yl]methyl]oxamide (CID 7585533) is N'-[4-(dimethylamino)phenyl]-N-[[(2S)-oxolan-2-yl]methyl]oxamide.
What is the SMILES notation for N'-[4-(dimethylamino)phenyl]-N-[[(2S)-oxolan-2-yl]methyl]oxamide?
The canonical SMILES for N'-[4-(dimethylamino)phenyl]-N-[[(2S)-oxolan-2-yl]methyl]oxamide is CN(C)c1ccc(NC(=O)C(=O)NC[C@@H]2CCCO2)cc1.
What is the InChIKey of N'-[4-(dimethylamino)phenyl]-N-[[(2S)-oxolan-2-yl]methyl]oxamide?
The InChIKey is GDRZLQZKNXIOFU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-18(2)12-7-5-11(6-8-12)17-15(20)14(19)16-10-13-4-3-9-21-13/h5-8,13H,3-4,9-10H2,1-2H3,(H,16,19)(H,17,20)/t13-/m0/s1.
What are the key properties of N'-[4-(dimethylamino)phenyl]-N-[[(2S)-oxolan-2-yl]methyl]oxamide?
N'-[4-(dimethylamino)phenyl]-N-[[(2S)-oxolan-2-yl]methyl]oxamide has a molecular weight of 291.35 g/mol, XLogP of 0.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(dimethylamino)phenyl]-N-[[(2S)-oxolan-2-yl]methyl]oxamide is sourced from PubChem (CID 7585533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).