2-(tert-butylamino)-N-[1-(4-methylphenyl)propyl]acetamide

C16H26N2O — CID 78912710

IUPAC2-(tert-butylamino)-N-[1-(4-methylphenyl)propyl]acetamide
SMILESCCC(NC(=O)CNC(C)(C)C)c1ccc(C)cc1
InChIInChI=1S/C16H26N2O/c1-6-14(13-9-7-12(2)8-10-13)18-15(19)11-17-16(3,4)5/h7-10,14,17H,6,11H2,1-5H3,(H,18,19)
InChIKeyDKTPDPOVDWTNGR-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.95
Rot. Bonds5

About 2-(tert-butylamino)-N-[1-(4-methylphenyl)propyl]acetamide

2-(tert-butylamino)-N-[1-(4-methylphenyl)propyl]acetamide (PubChem CID 78912710) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-(tert-butylamino)-N-[1-(4-methylphenyl)propyl]acetamide.

Molecular Properties

Compound Name2-(tert-butylamino)-N-[1-(4-methylphenyl)propyl]acetamide
PubChem CID78912710
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name2-(tert-butylamino)-N-[1-(4-methylphenyl)propyl]acetamide
SMILESCCC(NC(=O)CNC(C)(C)C)c1ccc(C)cc1
InChIInChI=1S/C16H26N2O/c1-6-14(13-9-7-12(2)8-10-13)18-15(19)11-17-16(3,4)5/h7-10,14,17H,6,11H2,1-5H3,(H,18,19)
InChIKeyDKTPDPOVDWTNGR-UHFFFAOYSA-N
XLogP2.95
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-bromophenyl)propyl]-2-(tert-butylamino)acetamide
CID 112723289
N-[1-(4-methylphenyl)propyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604429
2-methoxy-N-[(1S)-1-(4-methylphenyl)propyl]acetamide
CID 94014639
2-(cyclopropylamino)-N-[1-(4-methylphenyl)propyl]acetamide
CID 60671799
2-(cyclopropylmethylamino)-N-[1-(4-methylphenyl)propyl]acetamide;hydrochloride
CID 119687041
2-methyl-N-[1-(4-methylphenyl)propyl]butanamide
CID 134024126
2-methyl-N-[(1S)-1-(4-methylphenyl)propyl]propanamide
CID 95358385
2-(2,4-dimethylphenyl)-N-[1-(4-methylphenyl)propyl]acetamide
CID 133185866
2-(2,5-dimethylphenyl)-N-[1-(4-methylphenyl)propyl]acetamide
CID 43885999
2-(3,4-dimethylphenyl)-N-[1-(4-methylphenyl)propyl]acetamide
CID 132760177
2-[(4-methylphenyl)methylsulfanyl]-N-[(1R)-1-(4-methylphenyl)propyl]acetamide
CID 94016651
2-amino-N-[1-(4-methylphenyl)propyl]propanamide
CID 43707472

Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)-N-[1-(4-methylphenyl)propyl]acetamide?
The IUPAC name of 2-(tert-butylamino)-N-[1-(4-methylphenyl)propyl]acetamide (CID 78912710) is 2-(tert-butylamino)-N-[1-(4-methylphenyl)propyl]acetamide.
What is the SMILES notation for 2-(tert-butylamino)-N-[1-(4-methylphenyl)propyl]acetamide?
The canonical SMILES for 2-(tert-butylamino)-N-[1-(4-methylphenyl)propyl]acetamide is CCC(NC(=O)CNC(C)(C)C)c1ccc(C)cc1.
What is the InChIKey of 2-(tert-butylamino)-N-[1-(4-methylphenyl)propyl]acetamide?
The InChIKey is DKTPDPOVDWTNGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-6-14(13-9-7-12(2)8-10-13)18-15(19)11-17-16(3,4)5/h7-10,14,17H,6,11H2,1-5H3,(H,18,19).
What are the key properties of 2-(tert-butylamino)-N-[1-(4-methylphenyl)propyl]acetamide?
2-(tert-butylamino)-N-[1-(4-methylphenyl)propyl]acetamide has a molecular weight of 262.40 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)-N-[1-(4-methylphenyl)propyl]acetamide is sourced from PubChem (CID 78912710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).