N-(4-amino-2-methylphenyl)-2-(3-oxo-1,4-diazepan-1-yl)acetamide

C14H20N4O2 — CID 65361414

IUPACN-(4-amino-2-methylphenyl)-2-(3-oxo-1,4-diazepan-1-yl)acetamide
SMILESCc1cc(N)ccc1NC(=O)CN1CCCNC(=O)C1
InChIInChI=1S/C14H20N4O2/c1-10-7-11(15)3-4-12(10)17-14(20)9-18-6-2-5-16-13(19)8-18/h3-4,7H,2,5-6,8-9,15H2,1H3,(H,16,19)(H,17,20)
InChIKeyDBXKJNPAJVFDSR-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.34
Rot. Bonds3

About N-(4-amino-2-methylphenyl)-2-(3-oxo-1,4-diazepan-1-yl)acetamide

N-(4-amino-2-methylphenyl)-2-(3-oxo-1,4-diazepan-1-yl)acetamide (PubChem CID 65361414) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is N-(4-amino-2-methylphenyl)-2-(3-oxo-1,4-diazepan-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-amino-2-methylphenyl)-2-(3-oxo-1,4-diazepan-1-yl)acetamide
PubChem CID65361414
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC NameN-(4-amino-2-methylphenyl)-2-(3-oxo-1,4-diazepan-1-yl)acetamide
SMILESCc1cc(N)ccc1NC(=O)CN1CCCNC(=O)C1
InChIInChI=1S/C14H20N4O2/c1-10-7-11(15)3-4-12(10)17-14(20)9-18-6-2-5-16-13(19)8-18/h3-4,7H,2,5-6,8-9,15H2,1H3,(H,16,19)(H,17,20)
InChIKeyDBXKJNPAJVFDSR-UHFFFAOYSA-N
XLogP0.34
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-amino-2-chlorophenyl)-2-(3-oxo-1,4-diazepan-1-yl)acetamide
CID 65361365
N-(4-amino-2-chlorophenyl)-3-(3-oxo-1,4-diazepan-1-yl)propanamide
CID 65361182
N-(2-methylphenyl)-2-(3-oxopiperazin-1-yl)acetamide
CID 8962959
N-(4-amino-2-methylphenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide
CID 16794615
N-(4-amino-2-methylphenyl)-2-(3,4-dimethylpyrrolidin-1-yl)acetamide
CID 79181994
N-(4-aminophenyl)-2-(3-oxopiperazin-1-yl)acetamide
CID 16778608
1-[2-(4-amino-2-methylanilino)-2-oxoethyl]piperidine-3-carboxylic acid
CID 82026228
N-(4-amino-2-methylphenyl)-2-(4-hydroxy-3-methylpiperidin-1-yl)acetamide
CID 114677873
N-(4-amino-2-methylphenyl)-2-[3-(2-hydroxyethyl)piperidin-1-yl]acetamide
CID 107227238
N-(4-amino-2-chlorophenyl)-2-(5-oxo-1,4-diazepan-1-yl)acetamide
CID 63004252
N-(2-chloro-4-fluorophenyl)-2-(3-oxopiperazin-1-yl)acetamide
CID 8962997
2-(3-oxopiperazin-1-yl)-N-(2,4,6-trimethylphenyl)acetamide
CID 2656984

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-methylphenyl)-2-(3-oxo-1,4-diazepan-1-yl)acetamide?
The IUPAC name of N-(4-amino-2-methylphenyl)-2-(3-oxo-1,4-diazepan-1-yl)acetamide (CID 65361414) is N-(4-amino-2-methylphenyl)-2-(3-oxo-1,4-diazepan-1-yl)acetamide.
What is the SMILES notation for N-(4-amino-2-methylphenyl)-2-(3-oxo-1,4-diazepan-1-yl)acetamide?
The canonical SMILES for N-(4-amino-2-methylphenyl)-2-(3-oxo-1,4-diazepan-1-yl)acetamide is Cc1cc(N)ccc1NC(=O)CN1CCCNC(=O)C1.
What is the InChIKey of N-(4-amino-2-methylphenyl)-2-(3-oxo-1,4-diazepan-1-yl)acetamide?
The InChIKey is DBXKJNPAJVFDSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-10-7-11(15)3-4-12(10)17-14(20)9-18-6-2-5-16-13(19)8-18/h3-4,7H,2,5-6,8-9,15H2,1H3,(H,16,19)(H,17,20).
What are the key properties of N-(4-amino-2-methylphenyl)-2-(3-oxo-1,4-diazepan-1-yl)acetamide?
N-(4-amino-2-methylphenyl)-2-(3-oxo-1,4-diazepan-1-yl)acetamide has a molecular weight of 276.34 g/mol, XLogP of 0.34, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-methylphenyl)-2-(3-oxo-1,4-diazepan-1-yl)acetamide is sourced from PubChem (CID 65361414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).