N-[3-[[acetyl(methyl)amino]methyl]phenyl]-2-aminohexanamide

C16H25N3O2 — CID 60854220

IUPACN-[3-[[acetyl(methyl)amino]methyl]phenyl]-2-aminohexanamide
SMILESCCCCC(N)C(=O)Nc1cccc(CN(C)C(C)=O)c1
InChIInChI=1S/C16H25N3O2/c1-4-5-9-15(17)16(21)18-14-8-6-7-13(10-14)11-19(3)12(2)20/h6-8,10,15H,4-5,9,11,17H2,1-3H3,(H,18,21)
InChIKeyFPQHLHHPKAVZOT-UHFFFAOYSA-N
MW291.40 g/mol
LogP2.12
Rot. Bonds7

About N-[3-[[acetyl(methyl)amino]methyl]phenyl]-2-aminohexanamide

N-[3-[[acetyl(methyl)amino]methyl]phenyl]-2-aminohexanamide (PubChem CID 60854220) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is N-[3-[[acetyl(methyl)amino]methyl]phenyl]-2-aminohexanamide.

Molecular Properties

Compound NameN-[3-[[acetyl(methyl)amino]methyl]phenyl]-2-aminohexanamide
PubChem CID60854220
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC NameN-[3-[[acetyl(methyl)amino]methyl]phenyl]-2-aminohexanamide
SMILESCCCCC(N)C(=O)Nc1cccc(CN(C)C(C)=O)c1
InChIInChI=1S/C16H25N3O2/c1-4-5-9-15(17)16(21)18-14-8-6-7-13(10-14)11-19(3)12(2)20/h6-8,10,15H,4-5,9,11,17H2,1-3H3,(H,18,21)
InChIKeyFPQHLHHPKAVZOT-UHFFFAOYSA-N
XLogP2.12
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-acetamidophenyl)-2-aminohexanamide
CID 60852572
2-[3-[[(2S)-2-aminohexanoyl]amino]phenyl]acetic acid
CID 107145776
(2R)-2-amino-N-(3-ethylphenyl)pentanamide
CID 103793845
N-[3-[[acetyl(methyl)amino]methyl]phenyl]-3-aminobutanamide
CID 54924609
N-[3-[[acetyl(methyl)amino]methyl]phenyl]-2-bromo-3-methylbutanamide
CID 43699889
(2S)-2-amino-N-[3-(hydroxymethyl)phenyl]pentanamide
CID 107568565
2-amino-N-(3-ethylphenyl)pentanamide;hydrochloride
CID 119263935
(2S)-2-amino-N-(3-sulfamoylphenyl)hexanamide
CID 107143839
2-amino-N-(3-ethynylphenyl)hexanamide
CID 60852206
(2S)-2-amino-N-[3-[2-(dimethylamino)ethoxy]phenyl]hexanamide
CID 103831964
N-[[3-(butan-2-ylcarbamoylamino)phenyl]methyl]-N-methylacetamide
CID 47202792
2-amino-N-[3-[(dimethylamino)methyl]phenyl]-4-methylpentanamide
CID 43704239

Frequently Asked Questions

What is the IUPAC name of N-[3-[[acetyl(methyl)amino]methyl]phenyl]-2-aminohexanamide?
The IUPAC name of N-[3-[[acetyl(methyl)amino]methyl]phenyl]-2-aminohexanamide (CID 60854220) is N-[3-[[acetyl(methyl)amino]methyl]phenyl]-2-aminohexanamide.
What is the SMILES notation for N-[3-[[acetyl(methyl)amino]methyl]phenyl]-2-aminohexanamide?
The canonical SMILES for N-[3-[[acetyl(methyl)amino]methyl]phenyl]-2-aminohexanamide is CCCCC(N)C(=O)Nc1cccc(CN(C)C(C)=O)c1.
What is the InChIKey of N-[3-[[acetyl(methyl)amino]methyl]phenyl]-2-aminohexanamide?
The InChIKey is FPQHLHHPKAVZOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-4-5-9-15(17)16(21)18-14-8-6-7-13(10-14)11-19(3)12(2)20/h6-8,10,15H,4-5,9,11,17H2,1-3H3,(H,18,21).
What are the key properties of N-[3-[[acetyl(methyl)amino]methyl]phenyl]-2-aminohexanamide?
N-[3-[[acetyl(methyl)amino]methyl]phenyl]-2-aminohexanamide has a molecular weight of 291.40 g/mol, XLogP of 2.12, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[acetyl(methyl)amino]methyl]phenyl]-2-aminohexanamide is sourced from PubChem (CID 60854220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).