3,4,4-trimethyl-N-[2-(2-methylphenyl)ethyl]pentanamide

C17H27NO — CID 86901199

IUPAC3,4,4-trimethyl-N-[2-(2-methylphenyl)ethyl]pentanamide
SMILESCc1ccccc1CCNC(=O)CC(C)C(C)(C)C
InChIInChI=1S/C17H27NO/c1-13-8-6-7-9-15(13)10-11-18-16(19)12-14(2)17(3,4)5/h6-9,14H,10-12H2,1-5H3,(H,18,19)
InChIKeyKRZMMUGPJWMZQU-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.73
Rot. Bonds5

About 3,4,4-trimethyl-N-[2-(2-methylphenyl)ethyl]pentanamide

3,4,4-trimethyl-N-[2-(2-methylphenyl)ethyl]pentanamide (PubChem CID 86901199) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 3,4,4-trimethyl-N-[2-(2-methylphenyl)ethyl]pentanamide.

Molecular Properties

Compound Name3,4,4-trimethyl-N-[2-(2-methylphenyl)ethyl]pentanamide
PubChem CID86901199
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name3,4,4-trimethyl-N-[2-(2-methylphenyl)ethyl]pentanamide
SMILESCc1ccccc1CCNC(=O)CC(C)C(C)(C)C
InChIInChI=1S/C17H27NO/c1-13-8-6-7-9-15(13)10-11-18-16(19)12-14(2)17(3,4)5/h6-9,14H,10-12H2,1-5H3,(H,18,19)
InChIKeyKRZMMUGPJWMZQU-UHFFFAOYSA-N
XLogP3.73
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3S)-3,4,4-trimethyl-N-(2-phenylethyl)pentanamide
CID 97019359
2-methyl-3-(methylamino)-N-[2-(2-methylphenyl)ethyl]propanamide
CID 79749486
(2R)-2-chloro-N-[2-(2-methylphenyl)ethyl]propanamide
CID 51921905
N-[2-(2-methylphenyl)ethyl]-2-[[(1R)-2-methyl-1-phenylpropyl]amino]acetamide
CID 9132988
N-[2-(2-methylphenyl)ethyl]-3-piperidin-4-ylbutanamide
CID 119688197
3-chloro-2-methyl-N-[2-(2-methylphenyl)ethyl]propanamide
CID 79762696
N-[2-(2-methylphenyl)ethyl]-3-sulfanylpropanamide
CID 107032245
2-(ethylamino)-N-[2-(2-methylphenyl)ethyl]acetamide
CID 78912717
N-[2-(2-methylphenyl)ethyl]-2-propan-2-ylsulfanylpropanamide
CID 71896107
N-[2-(2-methylphenyl)ethyl]-2-(1-phenylethylsulfanyl)acetamide
CID 78851393
[2-(tert-butylamino)-2-oxoethyl]-methyl-[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl]azanium
CID 8768691
2-methyl-N-[2-(2-methylphenyl)ethyl]-2-phenylpropanamide
CID 46531773

Frequently Asked Questions

What is the IUPAC name of 3,4,4-trimethyl-N-[2-(2-methylphenyl)ethyl]pentanamide?
The IUPAC name of 3,4,4-trimethyl-N-[2-(2-methylphenyl)ethyl]pentanamide (CID 86901199) is 3,4,4-trimethyl-N-[2-(2-methylphenyl)ethyl]pentanamide.
What is the SMILES notation for 3,4,4-trimethyl-N-[2-(2-methylphenyl)ethyl]pentanamide?
The canonical SMILES for 3,4,4-trimethyl-N-[2-(2-methylphenyl)ethyl]pentanamide is Cc1ccccc1CCNC(=O)CC(C)C(C)(C)C.
What is the InChIKey of 3,4,4-trimethyl-N-[2-(2-methylphenyl)ethyl]pentanamide?
The InChIKey is KRZMMUGPJWMZQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-13-8-6-7-9-15(13)10-11-18-16(19)12-14(2)17(3,4)5/h6-9,14H,10-12H2,1-5H3,(H,18,19).
What are the key properties of 3,4,4-trimethyl-N-[2-(2-methylphenyl)ethyl]pentanamide?
3,4,4-trimethyl-N-[2-(2-methylphenyl)ethyl]pentanamide has a molecular weight of 261.41 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,4-trimethyl-N-[2-(2-methylphenyl)ethyl]pentanamide is sourced from PubChem (CID 86901199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).