N-[(4-tert-butylphenyl)methyl]-N',N'-di(propan-2-yl)oxamide

C19H30N2O2 — CID 155669977

IUPACN-[(4-tert-butylphenyl)methyl]-N',N'-di(propan-2-yl)oxamide
SMILESCC(C)N(C(=O)C(=O)NCc1ccc(C(C)(C)C)cc1)C(C)C
InChIInChI=1S/C19H30N2O2/c1-13(2)21(14(3)4)18(23)17(22)20-12-15-8-10-16(11-9-15)19(5,6)7/h8-11,13-14H,12H2,1-7H3,(H,20,22)
InChIKeyDPPJDACCCXAXQB-UHFFFAOYSA-N
MW318.46 g/mol
LogP3.25
Rot. Bonds4

About N-[(4-tert-butylphenyl)methyl]-N',N'-di(propan-2-yl)oxamide

N-[(4-tert-butylphenyl)methyl]-N',N'-di(propan-2-yl)oxamide (PubChem CID 155669977) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is N-[(4-tert-butylphenyl)methyl]-N',N'-di(propan-2-yl)oxamide.

Molecular Properties

Compound NameN-[(4-tert-butylphenyl)methyl]-N',N'-di(propan-2-yl)oxamide
PubChem CID155669977
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC NameN-[(4-tert-butylphenyl)methyl]-N',N'-di(propan-2-yl)oxamide
SMILESCC(C)N(C(=O)C(=O)NCc1ccc(C(C)(C)C)cc1)C(C)C
InChIInChI=1S/C19H30N2O2/c1-13(2)21(14(3)4)18(23)17(22)20-12-15-8-10-16(11-9-15)19(5,6)7/h8-11,13-14H,12H2,1-7H3,(H,20,22)
InChIKeyDPPJDACCCXAXQB-UHFFFAOYSA-N
XLogP3.25
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

3-[(4-tert-butylphenyl)methylamino]-3-oxopropanoic acid
CID 115163373
N-[(4-tert-butylphenyl)methyl]-2-hydroxyacetamide
CID 69343221
(2S)-2-[(4-tert-butylphenyl)methylcarbamoylamino]-N,N-dimethylpropanamide
CID 99829021
2-[(4-tert-butylphenyl)methylamino]propanoic acid
CID 43467143
(2S)-2-amino-N-[(4-tert-butylphenyl)methyl]-4-methylpentanamide;hydrochloride
CID 119707445
(E)-N-[(4-tert-butylphenyl)methyl]but-2-enamide
CID 110470259
4-tert-butyl-N-[(4-hydroxyphenyl)methyl]benzamide
CID 115577854
N-[(4-tert-butylphenyl)methyl]-4-methylbenzamide
CID 97423443
S-[(2S)-3-[(4-tert-butylphenyl)methylamino]-2-methyl-3-oxopropyl] ethanethioate
CID 175354014
N-[(4-tert-butylphenyl)methyl]-2-(methanesulfonamido)-2-methylpropanamide
CID 71998790
N-[(4-tert-butylphenyl)methyl]-2,2-diphenylacetamide
CID 2225639
N-[(4-tert-butylphenyl)methyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 25222516

Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butylphenyl)methyl]-N',N'-di(propan-2-yl)oxamide?
The IUPAC name of N-[(4-tert-butylphenyl)methyl]-N',N'-di(propan-2-yl)oxamide (CID 155669977) is N-[(4-tert-butylphenyl)methyl]-N',N'-di(propan-2-yl)oxamide.
What is the SMILES notation for N-[(4-tert-butylphenyl)methyl]-N',N'-di(propan-2-yl)oxamide?
The canonical SMILES for N-[(4-tert-butylphenyl)methyl]-N',N'-di(propan-2-yl)oxamide is CC(C)N(C(=O)C(=O)NCc1ccc(C(C)(C)C)cc1)C(C)C.
What is the InChIKey of N-[(4-tert-butylphenyl)methyl]-N',N'-di(propan-2-yl)oxamide?
The InChIKey is DPPJDACCCXAXQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-13(2)21(14(3)4)18(23)17(22)20-12-15-8-10-16(11-9-15)19(5,6)7/h8-11,13-14H,12H2,1-7H3,(H,20,22).
What are the key properties of N-[(4-tert-butylphenyl)methyl]-N',N'-di(propan-2-yl)oxamide?
N-[(4-tert-butylphenyl)methyl]-N',N'-di(propan-2-yl)oxamide has a molecular weight of 318.46 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-tert-butylphenyl)methyl]-N',N'-di(propan-2-yl)oxamide is sourced from PubChem (CID 155669977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).