N-tert-butyl-2-[(2-chlorophenyl)methyl-methylamino]acetamide

C14H21ClN2O — CID 8756656

IUPACN-tert-butyl-2-[(2-chlorophenyl)methyl-methylamino]acetamide
SMILESCN(CC(=O)NC(C)(C)C)Cc1ccccc1Cl
InChIInChI=1S/C14H21ClN2O/c1-14(2,3)16-13(18)10-17(4)9-11-7-5-6-8-12(11)15/h5-8H,9-10H2,1-4H3,(H,16,18)
InChIKeyAXVOKIFNPYSEIQ-UHFFFAOYSA-N
MW268.79 g/mol
LogP2.69
Rot. Bonds4

About N-tert-butyl-2-[(2-chlorophenyl)methyl-methylamino]acetamide

N-tert-butyl-2-[(2-chlorophenyl)methyl-methylamino]acetamide (PubChem CID 8756656) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is N-tert-butyl-2-[(2-chlorophenyl)methyl-methylamino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[(2-chlorophenyl)methyl-methylamino]acetamide
PubChem CID8756656
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC NameN-tert-butyl-2-[(2-chlorophenyl)methyl-methylamino]acetamide
SMILESCN(CC(=O)NC(C)(C)C)Cc1ccccc1Cl
InChIInChI=1S/C14H21ClN2O/c1-14(2,3)16-13(18)10-17(4)9-11-7-5-6-8-12(11)15/h5-8H,9-10H2,1-4H3,(H,16,18)
InChIKeyAXVOKIFNPYSEIQ-UHFFFAOYSA-N
XLogP2.69
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-chlorophenyl)methyl-methylamino]-N-(2,3,5,6-tetrachlorophenyl)acetamide
CID 18282633
N-(3-chloro-2-methylphenyl)-2-[(2-chlorophenyl)methyl-methylamino]acetamide
CID 9057796
N-(4-acetylphenyl)-2-[(2-chlorophenyl)methyl-methylamino]acetamide
CID 9057922
2-[(2-chlorophenyl)methyl-methylamino]-N-(2-methylsulfanylphenyl)acetamide
CID 27222681
2-[(2-chlorophenyl)methyl-methylamino]-N-[(2R)-1-methoxypropan-2-yl]acetamide
CID 94897721
1-[(2-chlorophenyl)methyl-methylamino]-4,4-dimethylpentan-3-one
CID 55098471
N-tert-butyl-2-[[2-[1-[(2-chlorophenyl)methyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-methylamino]acetamide
CID 8767246
1-(2-chlorophenyl)-N-[(2-chlorophenyl)methyl]-N-methylmethanamine
CID 71304139
N-tert-butyl-2-[[(1R)-1-(2-chlorophenyl)ethyl]-methylamino]acetamide
CID 8767576
N-tert-butyl-2-[(5-chlorothiophen-2-yl)methyl-methylamino]acetamide
CID 51223592
N-tert-butyl-2-[1-(2-chlorophenyl)ethyl-methylamino]acetamide
CID 84831983
N-(3-chloro-4-fluorophenyl)-2-[(2-chlorophenyl)methyl-methylamino]acetamide
CID 9057792

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(2-chlorophenyl)methyl-methylamino]acetamide?
The IUPAC name of N-tert-butyl-2-[(2-chlorophenyl)methyl-methylamino]acetamide (CID 8756656) is N-tert-butyl-2-[(2-chlorophenyl)methyl-methylamino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[(2-chlorophenyl)methyl-methylamino]acetamide?
The canonical SMILES for N-tert-butyl-2-[(2-chlorophenyl)methyl-methylamino]acetamide is CN(CC(=O)NC(C)(C)C)Cc1ccccc1Cl.
What is the InChIKey of N-tert-butyl-2-[(2-chlorophenyl)methyl-methylamino]acetamide?
The InChIKey is AXVOKIFNPYSEIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-14(2,3)16-13(18)10-17(4)9-11-7-5-6-8-12(11)15/h5-8H,9-10H2,1-4H3,(H,16,18).
What are the key properties of N-tert-butyl-2-[(2-chlorophenyl)methyl-methylamino]acetamide?
N-tert-butyl-2-[(2-chlorophenyl)methyl-methylamino]acetamide has a molecular weight of 268.79 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[(2-chlorophenyl)methyl-methylamino]acetamide is sourced from PubChem (CID 8756656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).