N-(2-amino-4-methylphenyl)-2-(4-methyl-1,4-diazepan-1-yl)acetamide

C15H24N4O — CID 43375794

IUPACN-(2-amino-4-methylphenyl)-2-(4-methyl-1,4-diazepan-1-yl)acetamide
SMILESCc1ccc(NC(=O)CN2CCCN(C)CC2)c(N)c1
InChIInChI=1S/C15H24N4O/c1-12-4-5-14(13(16)10-12)17-15(20)11-19-7-3-6-18(2)8-9-19/h4-5,10H,3,6-9,11,16H2,1-2H3,(H,17,20)
InChIKeyKKSWRVMLQUWOGJ-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.15
Rot. Bonds3

About N-(2-amino-4-methylphenyl)-2-(4-methyl-1,4-diazepan-1-yl)acetamide

N-(2-amino-4-methylphenyl)-2-(4-methyl-1,4-diazepan-1-yl)acetamide (PubChem CID 43375794) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is N-(2-amino-4-methylphenyl)-2-(4-methyl-1,4-diazepan-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-amino-4-methylphenyl)-2-(4-methyl-1,4-diazepan-1-yl)acetamide
PubChem CID43375794
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC NameN-(2-amino-4-methylphenyl)-2-(4-methyl-1,4-diazepan-1-yl)acetamide
SMILESCc1ccc(NC(=O)CN2CCCN(C)CC2)c(N)c1
InChIInChI=1S/C15H24N4O/c1-12-4-5-14(13(16)10-12)17-15(20)11-19-7-3-6-18(2)8-9-19/h4-5,10H,3,6-9,11,16H2,1-2H3,(H,17,20)
InChIKeyKKSWRVMLQUWOGJ-UHFFFAOYSA-N
XLogP1.15
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-4-fluorophenyl)-2-(4-methylpiperazin-1-yl)acetamide
CID 16779735
N-[4-methyl-2-[[2-(4-methyl-1,4-diazepan-1-yl)acetyl]amino]phenyl]cyclopentanecarboxamide
CID 131897893
N-(2-amino-4-methylphenyl)-2-(4-propan-2-ylpiperidin-1-yl)acetamide
CID 103505292
N-[2-(aminomethyl)phenyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide
CID 28744880
N-(2,5-dimethylphenyl)-2-pyrrolidin-1-ylacetamide
CID 8901854
N-(2-amino-4-methylphenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetamide
CID 66391472
2-[4,7-bis(carboxymethyl)-10-[2-(2,4-dimethylanilino)-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 58121003
N-(2-amino-4-methylphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 28867092
N-(2-amino-4-methylphenyl)-2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]acetamide
CID 81452037
N-(5-chloro-2-fluorophenyl)-2-(4-methylpiperazin-1-yl)acetamide
CID 8896475
2-[4-(2-aminoethyl)-1,4-diazepan-1-yl]-N-(2-methylphenyl)acetamide
CID 43252636
N-(2-amino-4-methylphenyl)-2-(3,5-dioxomorpholin-4-yl)acetamide
CID 61311165

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-methylphenyl)-2-(4-methyl-1,4-diazepan-1-yl)acetamide?
The IUPAC name of N-(2-amino-4-methylphenyl)-2-(4-methyl-1,4-diazepan-1-yl)acetamide (CID 43375794) is N-(2-amino-4-methylphenyl)-2-(4-methyl-1,4-diazepan-1-yl)acetamide.
What is the SMILES notation for N-(2-amino-4-methylphenyl)-2-(4-methyl-1,4-diazepan-1-yl)acetamide?
The canonical SMILES for N-(2-amino-4-methylphenyl)-2-(4-methyl-1,4-diazepan-1-yl)acetamide is Cc1ccc(NC(=O)CN2CCCN(C)CC2)c(N)c1.
What is the InChIKey of N-(2-amino-4-methylphenyl)-2-(4-methyl-1,4-diazepan-1-yl)acetamide?
The InChIKey is KKSWRVMLQUWOGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-12-4-5-14(13(16)10-12)17-15(20)11-19-7-3-6-18(2)8-9-19/h4-5,10H,3,6-9,11,16H2,1-2H3,(H,17,20).
What are the key properties of N-(2-amino-4-methylphenyl)-2-(4-methyl-1,4-diazepan-1-yl)acetamide?
N-(2-amino-4-methylphenyl)-2-(4-methyl-1,4-diazepan-1-yl)acetamide has a molecular weight of 276.38 g/mol, XLogP of 1.15, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-methylphenyl)-2-(4-methyl-1,4-diazepan-1-yl)acetamide is sourced from PubChem (CID 43375794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).