3-amino-2,2-dimethyl-N-[2-(4-methylphenyl)ethyl]propanamide

C14H22N2O — CID 115154707

IUPAC3-amino-2,2-dimethyl-N-[2-(4-methylphenyl)ethyl]propanamide
SMILESCc1ccc(CCNC(=O)C(C)(C)CN)cc1
InChIInChI=1S/C14H22N2O/c1-11-4-6-12(7-5-11)8-9-16-13(17)14(2,3)10-15/h4-7H,8-10,15H2,1-3H3,(H,16,17)
InChIKeyLMMHBBGMWMNFSQ-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.64
Rot. Bonds5

About 3-amino-2,2-dimethyl-N-[2-(4-methylphenyl)ethyl]propanamide

3-amino-2,2-dimethyl-N-[2-(4-methylphenyl)ethyl]propanamide (PubChem CID 115154707) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 3-amino-2,2-dimethyl-N-[2-(4-methylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-amino-2,2-dimethyl-N-[2-(4-methylphenyl)ethyl]propanamide
PubChem CID115154707
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name3-amino-2,2-dimethyl-N-[2-(4-methylphenyl)ethyl]propanamide
SMILESCc1ccc(CCNC(=O)C(C)(C)CN)cc1
InChIInChI=1S/C14H22N2O/c1-11-4-6-12(7-5-11)8-9-16-13(17)14(2,3)10-15/h4-7H,8-10,15H2,1-3H3,(H,16,17)
InChIKeyLMMHBBGMWMNFSQ-UHFFFAOYSA-N
XLogP1.64
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-2,2-dimethyl-N-(2-thiophen-3-ylethyl)propanamide
CID 81489154
3-amino-2,2-dimethyl-N-[2-(2-methylphenyl)ethyl]propanamide
CID 79763048
3-amino-N-[2-(3-chlorophenyl)ethyl]-2,2-dimethylpropanamide;hydrochloride
CID 119688226
2-(aminomethyl)-N-[2-(4-fluorophenyl)ethyl]-2-methylbutanamide
CID 113270004
N-[2-(4-fluorophenyl)ethyl]-2,2-dimethylbutanamide
CID 132962553
3-amino-2-hydroxy-N-[2-(4-methylphenyl)ethyl]propanamide
CID 115180718
N-[2-(4-methylphenyl)ethyl]acetamide;hydrochloride
CID 67025739
ethyl N-[2-(4-methylphenyl)ethyl]carbamate
CID 22253656
N-[2-(4-methoxyphenyl)ethyl]-2-methyl-2-(4-methylphenyl)propanamide
CID 113198054
1-methyl-3-[2-(4-methylphenyl)ethyl]urea
CID 18334314
N-[2-(4-aminophenyl)ethyl]-2,2-dimethylpropanamide;hydrochloride
CID 119549524
(2R)-2-amino-N-[2-(4-methylphenyl)ethyl]propanamide;hydrochloride
CID 119326879

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,2-dimethyl-N-[2-(4-methylphenyl)ethyl]propanamide?
The IUPAC name of 3-amino-2,2-dimethyl-N-[2-(4-methylphenyl)ethyl]propanamide (CID 115154707) is 3-amino-2,2-dimethyl-N-[2-(4-methylphenyl)ethyl]propanamide.
What is the SMILES notation for 3-amino-2,2-dimethyl-N-[2-(4-methylphenyl)ethyl]propanamide?
The canonical SMILES for 3-amino-2,2-dimethyl-N-[2-(4-methylphenyl)ethyl]propanamide is Cc1ccc(CCNC(=O)C(C)(C)CN)cc1.
What is the InChIKey of 3-amino-2,2-dimethyl-N-[2-(4-methylphenyl)ethyl]propanamide?
The InChIKey is LMMHBBGMWMNFSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-11-4-6-12(7-5-11)8-9-16-13(17)14(2,3)10-15/h4-7H,8-10,15H2,1-3H3,(H,16,17).
What are the key properties of 3-amino-2,2-dimethyl-N-[2-(4-methylphenyl)ethyl]propanamide?
3-amino-2,2-dimethyl-N-[2-(4-methylphenyl)ethyl]propanamide has a molecular weight of 234.34 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,2-dimethyl-N-[2-(4-methylphenyl)ethyl]propanamide is sourced from PubChem (CID 115154707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).