2-[methyl-[(2-methylphenyl)methyl]amino]-N-propylacetamide

C14H22N2O — CID 47006716

IUPAC2-[methyl-[(2-methylphenyl)methyl]amino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)Cc1ccccc1C
InChIInChI=1S/C14H22N2O/c1-4-9-15-14(17)11-16(3)10-13-8-6-5-7-12(13)2/h5-8H,4,9-11H2,1-3H3,(H,15,17)
InChIKeyCWRHURMBDLOMJM-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.95
Rot. Bonds6

About 2-[methyl-[(2-methylphenyl)methyl]amino]-N-propylacetamide

2-[methyl-[(2-methylphenyl)methyl]amino]-N-propylacetamide (PubChem CID 47006716) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-[methyl-[(2-methylphenyl)methyl]amino]-N-propylacetamide.

Molecular Properties

Compound Name2-[methyl-[(2-methylphenyl)methyl]amino]-N-propylacetamide
PubChem CID47006716
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name2-[methyl-[(2-methylphenyl)methyl]amino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)Cc1ccccc1C
InChIInChI=1S/C14H22N2O/c1-4-9-15-14(17)11-16(3)10-13-8-6-5-7-12(13)2/h5-8H,4,9-11H2,1-3H3,(H,15,17)
InChIKeyCWRHURMBDLOMJM-UHFFFAOYSA-N
XLogP1.95
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-butyl-2-[methyl-[(2-methylphenyl)methyl]amino]acetamide
CID 78791395
2-[[3-(aminomethyl)-2-fluorophenyl]methyl-methylamino]-N-propylacetamide
CID 107113242
N-[2-(4-methoxyphenyl)ethyl]-2-[methyl-[(2-methylphenyl)methyl]amino]acetamide
CID 26510312
N-[2-(2-methoxyphenoxy)ethyl]-2-[methyl-[(2-methylphenyl)methyl]amino]acetamide
CID 8791050
2-[methyl-[2-(2-methylanilino)-2-oxoethyl]amino]-N-propylacetamide
CID 9302823
N-(2,6-diethylphenyl)-2-[methyl-[(2-methylphenyl)methyl]amino]acetamide
CID 8964124
2-[methyl-[[2-(methylamino)-3-pyridinyl]methyl]amino]-N-propylacetamide
CID 62470888
N-[(4-fluorophenyl)methyl]-2-[methyl-[(2-methylphenyl)methyl]amino]acetamide
CID 8964387
methyl 2-amino-6-[[methyl-[2-oxo-2-(propylamino)ethyl]amino]methyl]benzoate
CID 104824482
N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-[methyl-[(2-methylphenyl)methyl]amino]acetamide
CID 18087619
2-[2-(2-methylphenyl)ethylamino]-N-propylacetamide
CID 112722399
N-benzhydryl-2-[methyl-[(2-methylphenyl)methyl]amino]acetamide
CID 8964153

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(2-methylphenyl)methyl]amino]-N-propylacetamide?
The IUPAC name of 2-[methyl-[(2-methylphenyl)methyl]amino]-N-propylacetamide (CID 47006716) is 2-[methyl-[(2-methylphenyl)methyl]amino]-N-propylacetamide.
What is the SMILES notation for 2-[methyl-[(2-methylphenyl)methyl]amino]-N-propylacetamide?
The canonical SMILES for 2-[methyl-[(2-methylphenyl)methyl]amino]-N-propylacetamide is CCCNC(=O)CN(C)Cc1ccccc1C.
What is the InChIKey of 2-[methyl-[(2-methylphenyl)methyl]amino]-N-propylacetamide?
The InChIKey is CWRHURMBDLOMJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-4-9-15-14(17)11-16(3)10-13-8-6-5-7-12(13)2/h5-8H,4,9-11H2,1-3H3,(H,15,17).
What are the key properties of 2-[methyl-[(2-methylphenyl)methyl]amino]-N-propylacetamide?
2-[methyl-[(2-methylphenyl)methyl]amino]-N-propylacetamide has a molecular weight of 234.34 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(2-methylphenyl)methyl]amino]-N-propylacetamide is sourced from PubChem (CID 47006716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).