N-(4-aminophenyl)-N-methyl-2-(5-oxo-1,4-diazepan-1-yl)acetamide

C14H20N4O2 — CID 63003549

IUPACN-(4-aminophenyl)-N-methyl-2-(5-oxo-1,4-diazepan-1-yl)acetamide
SMILESCN(C(=O)CN1CCNC(=O)CC1)c1ccc(N)cc1
InChIInChI=1S/C14H20N4O2/c1-17(12-4-2-11(15)3-5-12)14(20)10-18-8-6-13(19)16-7-9-18/h2-5H,6-10,15H2,1H3,(H,16,19)
InChIKeyPNKWBLJAOAYCRB-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.05
Rot. Bonds3

About N-(4-aminophenyl)-N-methyl-2-(5-oxo-1,4-diazepan-1-yl)acetamide

N-(4-aminophenyl)-N-methyl-2-(5-oxo-1,4-diazepan-1-yl)acetamide (PubChem CID 63003549) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is N-(4-aminophenyl)-N-methyl-2-(5-oxo-1,4-diazepan-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-N-methyl-2-(5-oxo-1,4-diazepan-1-yl)acetamide
PubChem CID63003549
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC NameN-(4-aminophenyl)-N-methyl-2-(5-oxo-1,4-diazepan-1-yl)acetamide
SMILESCN(C(=O)CN1CCNC(=O)CC1)c1ccc(N)cc1
InChIInChI=1S/C14H20N4O2/c1-17(12-4-2-11(15)3-5-12)14(20)10-18-8-6-13(19)16-7-9-18/h2-5H,6-10,15H2,1H3,(H,16,19)
InChIKeyPNKWBLJAOAYCRB-UHFFFAOYSA-N
XLogP0.05
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(4-aminophenyl)-N-methyl-2-piperidin-1-ylacetamide
CID 22569644
N-(4-aminophenyl)-2-(4-ethylpiperazin-1-yl)-N-methylacetamide
CID 43375589
N-(4-aminophenyl)-2-(4-cyclopropylpiperazin-1-yl)-N-methylacetamide
CID 61440037
N-(4-aminophenyl)-N-methyl-2-(3-methyl-2-oxoimidazolidin-1-yl)acetamide
CID 62490458
N-(4-aminophenyl)-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-N-methylacetamide
CID 114797175
N-(4-amino-2-chlorophenyl)-2-(5-oxo-1,4-diazepan-1-yl)acetamide
CID 63004252
N,N-dimethyl-3-(5-oxo-1,4-diazepan-1-yl)propanamide
CID 136579508
N-(4-aminophenyl)-N-methyl-2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetamide
CID 43376263
2-(5-oxo-1,4-diazepan-1-yl)acetohydrazide
CID 63582967
1-phenacyl-1,4-diazepan-5-one
CID 63004139
N-(4-aminophenyl)-2-[3-(methoxymethyl)piperidin-1-yl]-N-methylacetamide
CID 106585961
N-(4-aminophenyl)-2-[3-(cyclohexylmethyl)piperidin-1-yl]-N-methylacetamide
CID 154490639

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-N-methyl-2-(5-oxo-1,4-diazepan-1-yl)acetamide?
The IUPAC name of N-(4-aminophenyl)-N-methyl-2-(5-oxo-1,4-diazepan-1-yl)acetamide (CID 63003549) is N-(4-aminophenyl)-N-methyl-2-(5-oxo-1,4-diazepan-1-yl)acetamide.
What is the SMILES notation for N-(4-aminophenyl)-N-methyl-2-(5-oxo-1,4-diazepan-1-yl)acetamide?
The canonical SMILES for N-(4-aminophenyl)-N-methyl-2-(5-oxo-1,4-diazepan-1-yl)acetamide is CN(C(=O)CN1CCNC(=O)CC1)c1ccc(N)cc1.
What is the InChIKey of N-(4-aminophenyl)-N-methyl-2-(5-oxo-1,4-diazepan-1-yl)acetamide?
The InChIKey is PNKWBLJAOAYCRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-17(12-4-2-11(15)3-5-12)14(20)10-18-8-6-13(19)16-7-9-18/h2-5H,6-10,15H2,1H3,(H,16,19).
What are the key properties of N-(4-aminophenyl)-N-methyl-2-(5-oxo-1,4-diazepan-1-yl)acetamide?
N-(4-aminophenyl)-N-methyl-2-(5-oxo-1,4-diazepan-1-yl)acetamide has a molecular weight of 276.34 g/mol, XLogP of 0.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-N-methyl-2-(5-oxo-1,4-diazepan-1-yl)acetamide is sourced from PubChem (CID 63003549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).