N-butyl-N,2,2-trimethyl-N'-(4-propan-2-ylphenyl)propanediamide

C19H30N2O2 — CID 108966504

IUPACN-butyl-N,2,2-trimethyl-N'-(4-propan-2-ylphenyl)propanediamide
SMILESCCCCN(C)C(=O)C(C)(C)C(=O)Nc1ccc(C(C)C)cc1
InChIInChI=1S/C19H30N2O2/c1-7-8-13-21(6)18(23)19(4,5)17(22)20-16-11-9-15(10-12-16)14(2)3/h9-12,14H,7-8,13H2,1-6H3,(H,20,22)
InChIKeyKBZQDXBAVSYDDQ-UHFFFAOYSA-N
MW318.46 g/mol
LogP4.03
Rot. Bonds7

About N-butyl-N,2,2-trimethyl-N'-(4-propan-2-ylphenyl)propanediamide

N-butyl-N,2,2-trimethyl-N'-(4-propan-2-ylphenyl)propanediamide (PubChem CID 108966504) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is N-butyl-N,2,2-trimethyl-N'-(4-propan-2-ylphenyl)propanediamide.

Molecular Properties

Compound NameN-butyl-N,2,2-trimethyl-N'-(4-propan-2-ylphenyl)propanediamide
PubChem CID108966504
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC NameN-butyl-N,2,2-trimethyl-N'-(4-propan-2-ylphenyl)propanediamide
SMILESCCCCN(C)C(=O)C(C)(C)C(=O)Nc1ccc(C(C)C)cc1
InChIInChI=1S/C19H30N2O2/c1-7-8-13-21(6)18(23)19(4,5)17(22)20-16-11-9-15(10-12-16)14(2)3/h9-12,14H,7-8,13H2,1-6H3,(H,20,22)
InChIKeyKBZQDXBAVSYDDQ-UHFFFAOYSA-N
XLogP4.03
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

3-[butyl(methyl)amino]-N-(4-propan-2-ylphenyl)propanamide
CID 108795261
2-[butyl(methyl)amino]-N-(4-propan-2-ylphenyl)acetamide
CID 55353682
1-butyl-1-ethyl-3-(4-propan-2-ylphenyl)urea
CID 112824402
3-N-butyl-3-N-methyl-1-N-(4-propan-2-ylphenyl)benzene-1,3-dicarboxamide
CID 109056374
2,2-dimethyl-N-(4-propan-2-ylphenyl)propanamide
CID 3356940
3-[4-(1-aminoethyl)phenyl]-1-butyl-1-methylurea
CID 61340181
N-butyl-N'-(2-ethyl-6-methylphenyl)-N,2,2-trimethylpropanediamide
CID 108966502
N-(4-cyanophenyl)-2,2-dimethyl-N'-(4-propan-2-ylphenyl)propanediamide
CID 108968519
N-(4-bromophenyl)-2,2-dimethyl-N',N'-dipropylpropanediamide
CID 108966874
3-[4-(1-aminoethyl)phenyl]-1-methyl-1-pentylurea
CID 61341488
2,2-dimethyl-3-oxo-N-(4-propan-2-ylphenyl)-3-pyrrolidin-1-ylpropanamide
CID 108958446
6-[butyl(methyl)amino]-N-(4-propan-2-ylphenyl)pyridazine-3-carboxamide
CID 109125585

Frequently Asked Questions

What is the IUPAC name of N-butyl-N,2,2-trimethyl-N'-(4-propan-2-ylphenyl)propanediamide?
The IUPAC name of N-butyl-N,2,2-trimethyl-N'-(4-propan-2-ylphenyl)propanediamide (CID 108966504) is N-butyl-N,2,2-trimethyl-N'-(4-propan-2-ylphenyl)propanediamide.
What is the SMILES notation for N-butyl-N,2,2-trimethyl-N'-(4-propan-2-ylphenyl)propanediamide?
The canonical SMILES for N-butyl-N,2,2-trimethyl-N'-(4-propan-2-ylphenyl)propanediamide is CCCCN(C)C(=O)C(C)(C)C(=O)Nc1ccc(C(C)C)cc1.
What is the InChIKey of N-butyl-N,2,2-trimethyl-N'-(4-propan-2-ylphenyl)propanediamide?
The InChIKey is KBZQDXBAVSYDDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-7-8-13-21(6)18(23)19(4,5)17(22)20-16-11-9-15(10-12-16)14(2)3/h9-12,14H,7-8,13H2,1-6H3,(H,20,22).
What are the key properties of N-butyl-N,2,2-trimethyl-N'-(4-propan-2-ylphenyl)propanediamide?
N-butyl-N,2,2-trimethyl-N'-(4-propan-2-ylphenyl)propanediamide has a molecular weight of 318.46 g/mol, XLogP of 4.03, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N,2,2-trimethyl-N'-(4-propan-2-ylphenyl)propanediamide is sourced from PubChem (CID 108966504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).