2-[butyl(methyl)amino]-N-methyl-N-[(2-methylphenyl)methyl]acetamide

C16H26N2O — CID 78787410

IUPAC2-[butyl(methyl)amino]-N-methyl-N-[(2-methylphenyl)methyl]acetamide
SMILESCCCCN(C)CC(=O)N(C)Cc1ccccc1C
InChIInChI=1S/C16H26N2O/c1-5-6-11-17(3)13-16(19)18(4)12-15-10-8-7-9-14(15)2/h7-10H,5-6,11-13H2,1-4H3
InChIKeyBAOJJZXKHHFVQQ-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.69
Rot. Bonds7

About 2-[butyl(methyl)amino]-N-methyl-N-[(2-methylphenyl)methyl]acetamide

2-[butyl(methyl)amino]-N-methyl-N-[(2-methylphenyl)methyl]acetamide (PubChem CID 78787410) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-[butyl(methyl)amino]-N-methyl-N-[(2-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[butyl(methyl)amino]-N-methyl-N-[(2-methylphenyl)methyl]acetamide
PubChem CID78787410
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name2-[butyl(methyl)amino]-N-methyl-N-[(2-methylphenyl)methyl]acetamide
SMILESCCCCN(C)CC(=O)N(C)Cc1ccccc1C
InChIInChI=1S/C16H26N2O/c1-5-6-11-17(3)13-16(19)18(4)12-15-10-8-7-9-14(15)2/h7-10H,5-6,11-13H2,1-4H3
InChIKeyBAOJJZXKHHFVQQ-UHFFFAOYSA-N
XLogP2.69
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-dimethyl-2-[[2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl]-propylamino]acetamide
CID 60542879
2-hydroxy-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 16769161
3-[methyl-[(2-methylphenyl)methyl]amino]-3-oxopropanoic acid
CID 62231590
N-(2-cyanoethyl)-N-methyl-2-[methyl-[(2-methylphenyl)methyl]amino]acetamide
CID 60690747
2-[[methyl-[(2-methylphenyl)methyl]carbamoyl]-propylamino]acetic acid
CID 61412234
2-methyl-2-[methyl-[2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl]amino]propanoic acid
CID 62822661
3-chloro-N-methyl-N-[(2-methylphenyl)methyl]propanamide
CID 43578823
5-chloro-N-methyl-N-[(2-methylphenyl)methyl]pentanamide
CID 43578825
N-butyl-2-[methyl-[(2-methylphenyl)methyl]amino]acetamide
CID 78791395
N-ethyl-2-[ethyl-[2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl]amino]acetamide
CID 27075004
N-methyl-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]-N-[(2-methylphenyl)methyl]acetamide;hydrochloride
CID 119915006
2-[benzyl(methyl)amino]-N-[(2-hydroxyphenyl)methyl]-N-methylacetamide
CID 86861731

Frequently Asked Questions

What is the IUPAC name of 2-[butyl(methyl)amino]-N-methyl-N-[(2-methylphenyl)methyl]acetamide?
The IUPAC name of 2-[butyl(methyl)amino]-N-methyl-N-[(2-methylphenyl)methyl]acetamide (CID 78787410) is 2-[butyl(methyl)amino]-N-methyl-N-[(2-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[butyl(methyl)amino]-N-methyl-N-[(2-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-[butyl(methyl)amino]-N-methyl-N-[(2-methylphenyl)methyl]acetamide is CCCCN(C)CC(=O)N(C)Cc1ccccc1C.
What is the InChIKey of 2-[butyl(methyl)amino]-N-methyl-N-[(2-methylphenyl)methyl]acetamide?
The InChIKey is BAOJJZXKHHFVQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-5-6-11-17(3)13-16(19)18(4)12-15-10-8-7-9-14(15)2/h7-10H,5-6,11-13H2,1-4H3.
What are the key properties of 2-[butyl(methyl)amino]-N-methyl-N-[(2-methylphenyl)methyl]acetamide?
2-[butyl(methyl)amino]-N-methyl-N-[(2-methylphenyl)methyl]acetamide has a molecular weight of 262.40 g/mol, XLogP of 2.69, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl(methyl)amino]-N-methyl-N-[(2-methylphenyl)methyl]acetamide is sourced from PubChem (CID 78787410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).