N-[5-(2,2-dimethylpropanoylamino)-2-methylphenyl]-3,4,4-trimethylpentanamide

C20H32N2O2 — CID 86938339

IUPACN-[5-(2,2-dimethylpropanoylamino)-2-methylphenyl]-3,4,4-trimethylpentanamide
SMILESCc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)CC(C)C(C)(C)C
InChIInChI=1S/C20H32N2O2/c1-13-9-10-15(21-18(24)20(6,7)8)12-16(13)22-17(23)11-14(2)19(3,4)5/h9-10,12,14H,11H2,1-8H3,(H,21,24)(H,22,23)
InChIKeyMJSBJJJGBZOUHD-UHFFFAOYSA-N
MW332.49 g/mol
LogP4.99
Rot. Bonds4

About N-[5-(2,2-dimethylpropanoylamino)-2-methylphenyl]-3,4,4-trimethylpentanamide

N-[5-(2,2-dimethylpropanoylamino)-2-methylphenyl]-3,4,4-trimethylpentanamide (PubChem CID 86938339) has the molecular formula C20H32N2O2 and a molecular weight of 332.49 g/mol. Its IUPAC name is N-[5-(2,2-dimethylpropanoylamino)-2-methylphenyl]-3,4,4-trimethylpentanamide.

Molecular Properties

Compound NameN-[5-(2,2-dimethylpropanoylamino)-2-methylphenyl]-3,4,4-trimethylpentanamide
PubChem CID86938339
Molecular FormulaC20H32N2O2
Molecular Weight332.49 g/mol
Exact Mass332.25
IUPAC NameN-[5-(2,2-dimethylpropanoylamino)-2-methylphenyl]-3,4,4-trimethylpentanamide
SMILESCc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)CC(C)C(C)(C)C
InChIInChI=1S/C20H32N2O2/c1-13-9-10-15(21-18(24)20(6,7)8)12-16(13)22-17(23)11-14(2)19(3,4)5/h9-10,12,14H,11H2,1-8H3,(H,21,24)(H,22,23)
InChIKeyMJSBJJJGBZOUHD-UHFFFAOYSA-N
XLogP4.99
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-3-(3,4,4-trimethylpentanoylamino)benzoic acid
CID 63834626
2,2-dimethyl-N-[4-methyl-3-(3-piperidin-4-ylbutanoylamino)phenyl]propanamide
CID 119780736
2,2-dimethyl-N-[2-methyl-5-[[2-(methylamino)acetyl]amino]phenyl]propanamide
CID 119780770
N-(5-acetamido-2-methylphenyl)-3-methylbutanamide
CID 47191002
N-[3-[[2-(4-aminophenyl)acetyl]amino]-4-methylphenyl]-2,2-dimethylpropanamide;hydrochloride
CID 119780709
(2S)-2-amino-N-[3-(2,2-dimethylpropanoylamino)-4-methylphenyl]-3,3-dimethylbutanamide
CID 119780776
N-[5-(3-aminoprop-1-ynyl)-2-methylphenyl]-3,4,4-trimethylpentanamide
CID 63832250
2,2-dimethyl-N-[3-[[2-[4-methyl-3-(propanoylamino)anilino]acetyl]amino]phenyl]propanamide
CID 54844972
N-[5-[[2-(1-hydroxycyclopentyl)acetyl]amino]-2-methylphenyl]-2,2-dimethylpropanamide
CID 111538466
5-(5-acetamido-2-methylanilino)-3-methyl-5-oxopentanoic acid
CID 62964215
N-[2,4-bis(2,2-dimethylpropanoylamino)phenyl]-4-methylpentanamide
CID 154392787
5-(2,2-dimethylpropanoylamino)-2-methylbenzoic acid
CID 63652956

Frequently Asked Questions

What is the IUPAC name of N-[5-(2,2-dimethylpropanoylamino)-2-methylphenyl]-3,4,4-trimethylpentanamide?
The IUPAC name of N-[5-(2,2-dimethylpropanoylamino)-2-methylphenyl]-3,4,4-trimethylpentanamide (CID 86938339) is N-[5-(2,2-dimethylpropanoylamino)-2-methylphenyl]-3,4,4-trimethylpentanamide.
What is the SMILES notation for N-[5-(2,2-dimethylpropanoylamino)-2-methylphenyl]-3,4,4-trimethylpentanamide?
The canonical SMILES for N-[5-(2,2-dimethylpropanoylamino)-2-methylphenyl]-3,4,4-trimethylpentanamide is Cc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)CC(C)C(C)(C)C.
What is the InChIKey of N-[5-(2,2-dimethylpropanoylamino)-2-methylphenyl]-3,4,4-trimethylpentanamide?
The InChIKey is MJSBJJJGBZOUHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O2/c1-13-9-10-15(21-18(24)20(6,7)8)12-16(13)22-17(23)11-14(2)19(3,4)5/h9-10,12,14H,11H2,1-8H3,(H,21,24)(H,22,23).
What are the key properties of N-[5-(2,2-dimethylpropanoylamino)-2-methylphenyl]-3,4,4-trimethylpentanamide?
N-[5-(2,2-dimethylpropanoylamino)-2-methylphenyl]-3,4,4-trimethylpentanamide has a molecular weight of 332.49 g/mol, XLogP of 4.99, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,2-dimethylpropanoylamino)-2-methylphenyl]-3,4,4-trimethylpentanamide is sourced from PubChem (CID 86938339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).