2-[(4-butan-2-ylphenyl)methyl-methylamino]acetamide

C14H22N2O — CID 115259965

IUPAC2-[(4-butan-2-ylphenyl)methyl-methylamino]acetamide
SMILESCCC(C)c1ccc(CN(C)CC(N)=O)cc1
InChIInChI=1S/C14H22N2O/c1-4-11(2)13-7-5-12(6-8-13)9-16(3)10-14(15)17/h5-8,11H,4,9-10H2,1-3H3,(H2,15,17)
InChIKeyLJWBCHZZNMVRPS-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.12
Rot. Bonds6

About 2-[(4-butan-2-ylphenyl)methyl-methylamino]acetamide

2-[(4-butan-2-ylphenyl)methyl-methylamino]acetamide (PubChem CID 115259965) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-[(4-butan-2-ylphenyl)methyl-methylamino]acetamide.

Molecular Properties

Compound Name2-[(4-butan-2-ylphenyl)methyl-methylamino]acetamide
PubChem CID115259965
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name2-[(4-butan-2-ylphenyl)methyl-methylamino]acetamide
SMILESCCC(C)c1ccc(CN(C)CC(N)=O)cc1
InChIInChI=1S/C14H22N2O/c1-4-11(2)13-7-5-12(6-8-13)9-16(3)10-14(15)17/h5-8,11H,4,9-10H2,1-3H3,(H2,15,17)
InChIKeyLJWBCHZZNMVRPS-UHFFFAOYSA-N
XLogP2.12
TPSA46.33 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 ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(4-butan-2-ylphenyl)methyl-methylamino]methanol
CID 115229112
2-[4-[[(2-amino-2-oxoethyl)-methylamino]methyl]phenyl]propanoic acid
CID 105345669
N-[(4-butan-2-ylphenyl)methyl]-2-chloro-N-methylethanamine
CID 115214911
N-[(4-butan-2-ylphenyl)methyl]-N-methyl-2-oxoacetamide
CID 115166354
N'-[(4-butan-2-ylphenyl)methyl]-N-ethyl-N'-methylethane-1,2-diamine
CID 115205898
N-[(4-butan-2-ylphenyl)methyl]-3-hydroxy-N-methylpropanamide
CID 115139144
1-[[(4-butan-2-ylphenyl)methyl-methylamino]methyl]cyclopropan-1-amine
CID 115256771
6-[(4-butan-2-ylphenyl)methyl-methylamino]hexane-1,2,3,4,5-pentol
CID 54144171
2-amino-3-(4-butan-2-ylphenyl)propanamide
CID 116850831
2-[2-(4-butan-2-ylphenyl)ethylamino]acetamide
CID 115260076
(E)-3-[4-[[(2-amino-2-oxoethyl)-methylamino]methyl]phenyl]prop-2-enoic acid
CID 94233067
2-amino-2-(4-butan-2-ylphenyl)acetamide
CID 116850739

Frequently Asked Questions

What is the IUPAC name of 2-[(4-butan-2-ylphenyl)methyl-methylamino]acetamide?
The IUPAC name of 2-[(4-butan-2-ylphenyl)methyl-methylamino]acetamide (CID 115259965) is 2-[(4-butan-2-ylphenyl)methyl-methylamino]acetamide.
What is the SMILES notation for 2-[(4-butan-2-ylphenyl)methyl-methylamino]acetamide?
The canonical SMILES for 2-[(4-butan-2-ylphenyl)methyl-methylamino]acetamide is CCC(C)c1ccc(CN(C)CC(N)=O)cc1.
What is the InChIKey of 2-[(4-butan-2-ylphenyl)methyl-methylamino]acetamide?
The InChIKey is LJWBCHZZNMVRPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-4-11(2)13-7-5-12(6-8-13)9-16(3)10-14(15)17/h5-8,11H,4,9-10H2,1-3H3,(H2,15,17).
What are the key properties of 2-[(4-butan-2-ylphenyl)methyl-methylamino]acetamide?
2-[(4-butan-2-ylphenyl)methyl-methylamino]acetamide has a molecular weight of 234.34 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-butan-2-ylphenyl)methyl-methylamino]acetamide is sourced from PubChem (CID 115259965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).