2-(aminomethyl)-2-ethyl-N-[2-(3-methylphenyl)ethyl]butanamide

C16H26N2O — CID 62312850

IUPAC2-(aminomethyl)-2-ethyl-N-[2-(3-methylphenyl)ethyl]butanamide
SMILESCCC(CC)(CN)C(=O)NCCc1cccc(C)c1
InChIInChI=1S/C16H26N2O/c1-4-16(5-2,12-17)15(19)18-10-9-14-8-6-7-13(3)11-14/h6-8,11H,4-5,9-10,12,17H2,1-3H3,(H,18,19)
InChIKeyCBYCLXNRJCUENT-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.42
Rot. Bonds7

About 2-(aminomethyl)-2-ethyl-N-[2-(3-methylphenyl)ethyl]butanamide

2-(aminomethyl)-2-ethyl-N-[2-(3-methylphenyl)ethyl]butanamide (PubChem CID 62312850) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-(aminomethyl)-2-ethyl-N-[2-(3-methylphenyl)ethyl]butanamide.

Molecular Properties

Compound Name2-(aminomethyl)-2-ethyl-N-[2-(3-methylphenyl)ethyl]butanamide
PubChem CID62312850
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name2-(aminomethyl)-2-ethyl-N-[2-(3-methylphenyl)ethyl]butanamide
SMILESCCC(CC)(CN)C(=O)NCCc1cccc(C)c1
InChIInChI=1S/C16H26N2O/c1-4-16(5-2,12-17)15(19)18-10-9-14-8-6-7-13(3)11-14/h6-8,11H,4-5,9-10,12,17H2,1-3H3,(H,18,19)
InChIKeyCBYCLXNRJCUENT-UHFFFAOYSA-N
XLogP2.42
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-3,3-dimethyl-N-[2-(3-methylphenyl)ethyl]butanamide
CID 62315395
2-ethyl-2-[2-(3-methylphenyl)ethylcarbamoylamino]butanoic acid
CID 79815199
(2R)-2-amino-3-methyl-N-[2-(3-methylphenyl)ethyl]butanamide
CID 79013185
2-bromo-N-[2-(3-methylphenyl)ethyl]butanamide
CID 62855844
3-amino-N-[2-(3-chlorophenyl)ethyl]-2,2-dimethylpropanamide;hydrochloride
CID 119688226
2-chloro-N-[2-(3-methylphenyl)ethyl]propanamide
CID 62314292
1-cyano-N-[2-(3-methylphenyl)ethyl]formamide
CID 115172562
(2S)-2-amino-3,3,3-trifluoro-2-(2-methoxyphenyl)-N-[2-(3-methylphenyl)ethyl]propanamide
CID 97349537
N-[2-(4-fluorophenyl)ethyl]-2,2-dimethyl-N'-[(3-methylphenyl)methyl]propanediamide
CID 108961824
3-(chloromethyl)-N-[2-(3-methylphenyl)ethyl]benzamide
CID 62314649
3-amino-N-[2-(3-methylphenyl)ethyl]benzamide
CID 62313883
3-amino-2,2-dimethyl-N-[2-(4-methylphenyl)ethyl]propanamide
CID 115154707

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-2-ethyl-N-[2-(3-methylphenyl)ethyl]butanamide?
The IUPAC name of 2-(aminomethyl)-2-ethyl-N-[2-(3-methylphenyl)ethyl]butanamide (CID 62312850) is 2-(aminomethyl)-2-ethyl-N-[2-(3-methylphenyl)ethyl]butanamide.
What is the SMILES notation for 2-(aminomethyl)-2-ethyl-N-[2-(3-methylphenyl)ethyl]butanamide?
The canonical SMILES for 2-(aminomethyl)-2-ethyl-N-[2-(3-methylphenyl)ethyl]butanamide is CCC(CC)(CN)C(=O)NCCc1cccc(C)c1.
What is the InChIKey of 2-(aminomethyl)-2-ethyl-N-[2-(3-methylphenyl)ethyl]butanamide?
The InChIKey is CBYCLXNRJCUENT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-4-16(5-2,12-17)15(19)18-10-9-14-8-6-7-13(3)11-14/h6-8,11H,4-5,9-10,12,17H2,1-3H3,(H,18,19).
What are the key properties of 2-(aminomethyl)-2-ethyl-N-[2-(3-methylphenyl)ethyl]butanamide?
2-(aminomethyl)-2-ethyl-N-[2-(3-methylphenyl)ethyl]butanamide has a molecular weight of 262.40 g/mol, XLogP of 2.42, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-2-ethyl-N-[2-(3-methylphenyl)ethyl]butanamide is sourced from PubChem (CID 62312850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).