2-methyl-N-[3-[1-(methylamino)ethyl]phenyl]butanamide

C14H22N2O — CID 43507778

IUPAC2-methyl-N-[3-[1-(methylamino)ethyl]phenyl]butanamide
SMILESCCC(C)C(=O)Nc1cccc(C(C)NC)c1
InChIInChI=1S/C14H22N2O/c1-5-10(2)14(17)16-13-8-6-7-12(9-13)11(3)15-4/h6-11,15H,5H2,1-4H3,(H,16,17)
InChIKeyLOHBMVBNHZYGPY-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.95
Rot. Bonds5

About 2-methyl-N-[3-[1-(methylamino)ethyl]phenyl]butanamide

2-methyl-N-[3-[1-(methylamino)ethyl]phenyl]butanamide (PubChem CID 43507778) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-methyl-N-[3-[1-(methylamino)ethyl]phenyl]butanamide.

Molecular Properties

Compound Name2-methyl-N-[3-[1-(methylamino)ethyl]phenyl]butanamide
PubChem CID43507778
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name2-methyl-N-[3-[1-(methylamino)ethyl]phenyl]butanamide
SMILESCCC(C)C(=O)Nc1cccc(C(C)NC)c1
InChIInChI=1S/C14H22N2O/c1-5-10(2)14(17)16-13-8-6-7-12(9-13)11(3)15-4/h6-11,15H,5H2,1-4H3,(H,16,17)
InChIKeyLOHBMVBNHZYGPY-UHFFFAOYSA-N
XLogP2.95
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-[3-[1-(methylamino)ethyl]phenyl]pentanamide
CID 43507752
N-[3-[1-(ethylamino)ethyl]phenyl]-2-methylbutanamide
CID 43507836
2-methyl-N-[3-[1-(methylamino)ethyl]phenyl]propanamide
CID 43507738
N-[3-[1-(methylamino)ethyl]phenyl]acetamide
CID 43200396
1-butan-2-yl-3-[3-[1-(methylamino)ethyl]phenyl]urea
CID 61341261
1-[3-[1-(methylamino)ethyl]phenyl]-3-(2-methylpentan-3-yl)urea
CID 61471463
2-ethoxy-N-[3-[1-(methylamino)ethyl]phenyl]acetamide
CID 43507750
1-methyl-3-[3-[1-(methylamino)ethyl]phenyl]-1-(2-methylbutyl)urea
CID 61339498
N-(3-chlorophenyl)-2-methylbutanamide
CID 4636150
(2R)-N-(3-bromophenyl)-2-methylbutanamide
CID 670010
(2S)-N-(3-aminophenyl)-2-methylbutanamide
CID 40788840
1-(1-hydroxypropan-2-yl)-1-methyl-3-[3-[1-(methylamino)ethyl]phenyl]urea
CID 104553891

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-[1-(methylamino)ethyl]phenyl]butanamide?
The IUPAC name of 2-methyl-N-[3-[1-(methylamino)ethyl]phenyl]butanamide (CID 43507778) is 2-methyl-N-[3-[1-(methylamino)ethyl]phenyl]butanamide.
What is the SMILES notation for 2-methyl-N-[3-[1-(methylamino)ethyl]phenyl]butanamide?
The canonical SMILES for 2-methyl-N-[3-[1-(methylamino)ethyl]phenyl]butanamide is CCC(C)C(=O)Nc1cccc(C(C)NC)c1.
What is the InChIKey of 2-methyl-N-[3-[1-(methylamino)ethyl]phenyl]butanamide?
The InChIKey is LOHBMVBNHZYGPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-5-10(2)14(17)16-13-8-6-7-12(9-13)11(3)15-4/h6-11,15H,5H2,1-4H3,(H,16,17).
What are the key properties of 2-methyl-N-[3-[1-(methylamino)ethyl]phenyl]butanamide?
2-methyl-N-[3-[1-(methylamino)ethyl]phenyl]butanamide has a molecular weight of 234.34 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-[1-(methylamino)ethyl]phenyl]butanamide is sourced from PubChem (CID 43507778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).