N'-[4-(dimethylamino)phenyl]-N-[(4-propan-2-ylphenyl)methyl]oxamide

C20H25N3O2 — CID 2300942

IUPACN'-[4-(dimethylamino)phenyl]-N-[(4-propan-2-ylphenyl)methyl]oxamide
SMILESCC(C)c1ccc(CNC(=O)C(=O)Nc2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C20H25N3O2/c1-14(2)16-7-5-15(6-8-16)13-21-19(24)20(25)22-17-9-11-18(12-10-17)23(3)4/h5-12,14H,13H2,1-4H3,(H,21,24)(H,22,25)
InChIKeyHKIUFXPKQVQRQH-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.13
Rot. Bonds5

About N'-[4-(dimethylamino)phenyl]-N-[(4-propan-2-ylphenyl)methyl]oxamide

N'-[4-(dimethylamino)phenyl]-N-[(4-propan-2-ylphenyl)methyl]oxamide (PubChem CID 2300942) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is N'-[4-(dimethylamino)phenyl]-N-[(4-propan-2-ylphenyl)methyl]oxamide.

Molecular Properties

Compound NameN'-[4-(dimethylamino)phenyl]-N-[(4-propan-2-ylphenyl)methyl]oxamide
PubChem CID2300942
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC NameN'-[4-(dimethylamino)phenyl]-N-[(4-propan-2-ylphenyl)methyl]oxamide
SMILESCC(C)c1ccc(CNC(=O)C(=O)Nc2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C20H25N3O2/c1-14(2)16-7-5-15(6-8-16)13-21-19(24)20(25)22-17-9-11-18(12-10-17)23(3)4/h5-12,14H,13H2,1-4H3,(H,21,24)(H,22,25)
InChIKeyHKIUFXPKQVQRQH-UHFFFAOYSA-N
XLogP3.13
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[2-(4-chlorophenyl)ethyl]-N'-[4-(dimethylamino)phenyl]oxamide
CID 7585522
N'-[(4-propan-2-ylphenyl)methyl]-N-prop-2-enyloxamide
CID 2585461
1-(4-chlorophenyl)-3-[(4-propan-2-ylphenyl)methyl]urea
CID 172617530
(2S)-N-[4-(dimethylamino)phenyl]-2-[4-(2-methylpropyl)phenyl]propanamide
CID 25019148
3-[4-(dimethylamino)anilino]-N-(4-propan-2-ylphenyl)propanamide
CID 109036871
N-[(4-propan-2-ylphenyl)methyl]carbamoyl chloride
CID 115194584
N-(2-aminoethyl)-N'-(4-propan-2-ylphenyl)oxamide
CID 43316008
1-[(4-bromophenyl)methyl]-3-(4-propan-2-ylphenyl)urea
CID 108899366
N'-[4-(dimethylamino)phenyl]-N-(furan-2-ylmethyl)oxamide
CID 3148860
N-[[4-(dimethylamino)phenyl]methyl]-N'-[2-(dimethylcarbamoyl)phenyl]oxamide
CID 86996307
N-benzyl-N'-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]oxamide
CID 7639141
N'-[4-(dimethylamino)phenyl]-N-[(2S)-2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ium-1-ylethyl]oxamide
CID 7644820

Frequently Asked Questions

What is the IUPAC name of N'-[4-(dimethylamino)phenyl]-N-[(4-propan-2-ylphenyl)methyl]oxamide?
The IUPAC name of N'-[4-(dimethylamino)phenyl]-N-[(4-propan-2-ylphenyl)methyl]oxamide (CID 2300942) is N'-[4-(dimethylamino)phenyl]-N-[(4-propan-2-ylphenyl)methyl]oxamide.
What is the SMILES notation for N'-[4-(dimethylamino)phenyl]-N-[(4-propan-2-ylphenyl)methyl]oxamide?
The canonical SMILES for N'-[4-(dimethylamino)phenyl]-N-[(4-propan-2-ylphenyl)methyl]oxamide is CC(C)c1ccc(CNC(=O)C(=O)Nc2ccc(N(C)C)cc2)cc1.
What is the InChIKey of N'-[4-(dimethylamino)phenyl]-N-[(4-propan-2-ylphenyl)methyl]oxamide?
The InChIKey is HKIUFXPKQVQRQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-14(2)16-7-5-15(6-8-16)13-21-19(24)20(25)22-17-9-11-18(12-10-17)23(3)4/h5-12,14H,13H2,1-4H3,(H,21,24)(H,22,25).
What are the key properties of N'-[4-(dimethylamino)phenyl]-N-[(4-propan-2-ylphenyl)methyl]oxamide?
N'-[4-(dimethylamino)phenyl]-N-[(4-propan-2-ylphenyl)methyl]oxamide has a molecular weight of 339.44 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(dimethylamino)phenyl]-N-[(4-propan-2-ylphenyl)methyl]oxamide is sourced from PubChem (CID 2300942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).