N-[2-(aminomethyl)phenyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide

C15H24N4O — CID 28744880

IUPACN-[2-(aminomethyl)phenyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide
SMILESCN1CCCN(CC(=O)Nc2ccccc2CN)CC1
InChIInChI=1S/C15H24N4O/c1-18-7-4-8-19(10-9-18)12-15(20)17-14-6-3-2-5-13(14)11-16/h2-3,5-6H,4,7-12,16H2,1H3,(H,17,20)
InChIKeyWFYDFDBBEFTAGT-UHFFFAOYSA-N
MW276.38 g/mol
LogP0.72
Rot. Bonds4

About N-[2-(aminomethyl)phenyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide

N-[2-(aminomethyl)phenyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide (PubChem CID 28744880) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is N-[2-(aminomethyl)phenyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)phenyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide
PubChem CID28744880
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC NameN-[2-(aminomethyl)phenyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide
SMILESCN1CCCN(CC(=O)Nc2ccccc2CN)CC1
InChIInChI=1S/C15H24N4O/c1-18-7-4-8-19(10-9-18)12-15(20)17-14-6-3-2-5-13(14)11-16/h2-3,5-6H,4,7-12,16H2,1H3,(H,17,20)
InChIKeyWFYDFDBBEFTAGT-UHFFFAOYSA-N
XLogP0.72
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(aminomethyl)phenyl]-2-(4-ethylpiperazin-1-yl)acetamide
CID 16783173
N-[2-(aminomethyl)phenyl]-2-(4,4-dimethylazepan-1-yl)acetamide
CID 65283533
N-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)acetamide
CID 22197633
2-[4-(2-aminoethyl)-1,4-diazepan-1-yl]-N-(2-methylphenyl)acetamide
CID 43252636
N-[2-(aminomethyl)phenyl]-4-pyrrolidin-1-ylbutanamide
CID 16779594
N-[2-(aminomethyl)phenyl]-2-(3,5-dimethylpiperidin-1-yl)acetamide
CID 16787564
N-(2-amino-4-methylphenyl)-2-(4-methyl-1,4-diazepan-1-yl)acetamide
CID 43375794
2-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-methylphenyl)acetamide
CID 9436502
N-(2-ethylphenyl)-2-[4-[2-(2-methoxyanilino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 9436558
N-[2-(aminomethyl)phenyl]-2-[3-(methoxymethyl)pyrrolidin-1-yl]acetamide
CID 64571252
N-[2-(aminomethyl)phenyl]-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]acetamide
CID 115965021
N-[2-(aminomethyl)phenyl]-3-(3,4-dimethylpiperazin-1-yl)propanamide
CID 63603834

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)phenyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide?
The IUPAC name of N-[2-(aminomethyl)phenyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide (CID 28744880) is N-[2-(aminomethyl)phenyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide.
What is the SMILES notation for N-[2-(aminomethyl)phenyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide?
The canonical SMILES for N-[2-(aminomethyl)phenyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide is CN1CCCN(CC(=O)Nc2ccccc2CN)CC1.
What is the InChIKey of N-[2-(aminomethyl)phenyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide?
The InChIKey is WFYDFDBBEFTAGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-18-7-4-8-19(10-9-18)12-15(20)17-14-6-3-2-5-13(14)11-16/h2-3,5-6H,4,7-12,16H2,1H3,(H,17,20).
What are the key properties of N-[2-(aminomethyl)phenyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide?
N-[2-(aminomethyl)phenyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide has a molecular weight of 276.38 g/mol, XLogP of 0.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)phenyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide is sourced from PubChem (CID 28744880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).