N-butan-2-yl-N'-[2,6-di(propan-2-yl)phenyl]-2,2-dimethylpropanediamide

C21H34N2O2 — CID 108958316

IUPACN-butan-2-yl-N'-[2,6-di(propan-2-yl)phenyl]-2,2-dimethylpropanediamide
SMILESCCC(C)NC(=O)C(C)(C)C(=O)Nc1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C21H34N2O2/c1-9-15(6)22-19(24)21(7,8)20(25)23-18-16(13(2)3)11-10-12-17(18)14(4)5/h10-15H,9H2,1-8H3,(H,22,24)(H,23,25)
InChIKeyANZCSBXTAGEGKS-UHFFFAOYSA-N
MW346.52 g/mol
LogP4.81
Rot. Bonds7

About N-butan-2-yl-N'-[2,6-di(propan-2-yl)phenyl]-2,2-dimethylpropanediamide

N-butan-2-yl-N'-[2,6-di(propan-2-yl)phenyl]-2,2-dimethylpropanediamide (PubChem CID 108958316) has the molecular formula C21H34N2O2 and a molecular weight of 346.52 g/mol. Its IUPAC name is N-butan-2-yl-N'-[2,6-di(propan-2-yl)phenyl]-2,2-dimethylpropanediamide.

Molecular Properties

Compound NameN-butan-2-yl-N'-[2,6-di(propan-2-yl)phenyl]-2,2-dimethylpropanediamide
PubChem CID108958316
Molecular FormulaC21H34N2O2
Molecular Weight346.52 g/mol
Exact Mass346.26
IUPAC NameN-butan-2-yl-N'-[2,6-di(propan-2-yl)phenyl]-2,2-dimethylpropanediamide
SMILESCCC(C)NC(=O)C(C)(C)C(=O)Nc1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C21H34N2O2/c1-9-15(6)22-19(24)21(7,8)20(25)23-18-16(13(2)3)11-10-12-17(18)14(4)5/h10-15H,9H2,1-8H3,(H,22,24)(H,23,25)
InChIKeyANZCSBXTAGEGKS-UHFFFAOYSA-N
XLogP4.81
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.52
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-butan-2-yl-3-(2-methyl-6-propan-2-ylphenyl)urea
CID 45366518
1-N-butan-2-yl-2-N-[2,6-di(propan-2-yl)phenyl]cyclopropane-1,2-dicarboxamide
CID 109131764
N-butan-2-yl-N'-(4-fluorophenyl)-2,2-dimethylpropanediamide
CID 108958261
N-butan-2-yl-3-[2,6-di(propan-2-yl)anilino]propanamide
CID 109013041
N-butan-2-yl-N'-(4-chlorophenyl)-2,2-dimethylpropanediamide
CID 108958264
N-[2,6-di(propan-2-yl)phenyl]-2,2-dimethyl-N'-(pyridin-4-ylmethyl)propanediamide
CID 108963768
N-butan-2-yl-N'-(3-cyanophenyl)-2,2-dimethylpropanediamide
CID 108958336
1-[2,6-di(propan-2-yl)phenyl]-3-(1-hydroxypropan-2-yl)urea
CID 21348423
1-[2,6-di(propan-2-yl)phenyl]-3-(1-hydroxybutan-2-yl)urea
CID 110890372
N-(4-acetamidophenyl)-2,2-dimethyl-N'-(2-methyl-6-propan-2-ylphenyl)propanediamide
CID 108968604
1,3-bis[2,6-di(propan-2-yl)phenyl]urea
CID 12058189
N-(2,6-dimethylphenyl)-2,2-dimethyl-N'-(2-propan-2-ylphenyl)propanediamide
CID 108968066

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N'-[2,6-di(propan-2-yl)phenyl]-2,2-dimethylpropanediamide?
The IUPAC name of N-butan-2-yl-N'-[2,6-di(propan-2-yl)phenyl]-2,2-dimethylpropanediamide (CID 108958316) is N-butan-2-yl-N'-[2,6-di(propan-2-yl)phenyl]-2,2-dimethylpropanediamide.
What is the SMILES notation for N-butan-2-yl-N'-[2,6-di(propan-2-yl)phenyl]-2,2-dimethylpropanediamide?
The canonical SMILES for N-butan-2-yl-N'-[2,6-di(propan-2-yl)phenyl]-2,2-dimethylpropanediamide is CCC(C)NC(=O)C(C)(C)C(=O)Nc1c(C(C)C)cccc1C(C)C.
What is the InChIKey of N-butan-2-yl-N'-[2,6-di(propan-2-yl)phenyl]-2,2-dimethylpropanediamide?
The InChIKey is ANZCSBXTAGEGKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N2O2/c1-9-15(6)22-19(24)21(7,8)20(25)23-18-16(13(2)3)11-10-12-17(18)14(4)5/h10-15H,9H2,1-8H3,(H,22,24)(H,23,25).
What are the key properties of N-butan-2-yl-N'-[2,6-di(propan-2-yl)phenyl]-2,2-dimethylpropanediamide?
N-butan-2-yl-N'-[2,6-di(propan-2-yl)phenyl]-2,2-dimethylpropanediamide has a molecular weight of 346.52 g/mol, XLogP of 4.81, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N'-[2,6-di(propan-2-yl)phenyl]-2,2-dimethylpropanediamide is sourced from PubChem (CID 108958316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).