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

C15H22N4O2 — CID 102888500

IUPACN-(3-amino-2-methylphenyl)-2-(4-methyl-3-oxo-1,4-diazepan-1-yl)acetamide
SMILESCc1c(N)cccc1NC(=O)CN1CCCN(C)C(=O)C1
InChIInChI=1S/C15H22N4O2/c1-11-12(16)5-3-6-13(11)17-14(20)9-19-8-4-7-18(2)15(21)10-19/h3,5-6H,4,7-10,16H2,1-2H3,(H,17,20)
InChIKeyOUZZTXZQIQNLKU-UHFFFAOYSA-N
MW290.37 g/mol
LogP0.68
Rot. Bonds3

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

N-(3-amino-2-methylphenyl)-2-(4-methyl-3-oxo-1,4-diazepan-1-yl)acetamide (PubChem CID 102888500) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is N-(3-amino-2-methylphenyl)-2-(4-methyl-3-oxo-1,4-diazepan-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-amino-2-methylphenyl)-2-(4-methyl-3-oxo-1,4-diazepan-1-yl)acetamide
PubChem CID102888500
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC NameN-(3-amino-2-methylphenyl)-2-(4-methyl-3-oxo-1,4-diazepan-1-yl)acetamide
SMILESCc1c(N)cccc1NC(=O)CN1CCCN(C)C(=O)C1
InChIInChI=1S/C15H22N4O2/c1-11-12(16)5-3-6-13(11)17-14(20)9-19-8-4-7-18(2)15(21)10-19/h3,5-6H,4,7-10,16H2,1-2H3,(H,17,20)
InChIKeyOUZZTXZQIQNLKU-UHFFFAOYSA-N
XLogP0.68
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 50.68
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-(3-amino-2-methylphenyl)-2-(1,3-dihydroisoindol-2-yl)acetamide
CID 62206392
N-(2-amino-6-methylphenyl)-2-(4-methyl-3-oxopiperazin-1-yl)acetamide
CID 64680059
N-(3-amino-2-methylphenyl)-2-(3-methyl-2-oxoimidazolidin-1-yl)acetamide
CID 55078174
N-(3-amino-2-methylphenyl)-2-(4-propan-2-ylpiperidin-1-yl)acetamide
CID 103505272
N-(3-amino-2-methylphenyl)-2-(4-oxo-1-pyridinyl)acetamide
CID 62880154
N-(3-amino-2-methylphenyl)-2-(6-oxopyridazin-1-yl)acetamide
CID 62851005
N-(3-amino-2-methylphenyl)-2-(2,3-dimethylpiperidin-1-yl)acetamide
CID 62125474
N-(4-amino-2-bromophenyl)-2-(4-methyl-3-oxopiperazin-1-yl)acetamide
CID 64683209
2-(4-methyl-3-oxo-1,4-diazepan-1-yl)acetic acid
CID 102889426
N-(3-amino-2-methylphenyl)-2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 63312237
N-(3-amino-2-methylphenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]acetamide
CID 16781307
N-(2-amino-6-methylphenyl)-2-pyrrolidin-1-ylacetamide
CID 43375431

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylphenyl)-2-(4-methyl-3-oxo-1,4-diazepan-1-yl)acetamide?
The IUPAC name of N-(3-amino-2-methylphenyl)-2-(4-methyl-3-oxo-1,4-diazepan-1-yl)acetamide (CID 102888500) is N-(3-amino-2-methylphenyl)-2-(4-methyl-3-oxo-1,4-diazepan-1-yl)acetamide.
What is the SMILES notation for N-(3-amino-2-methylphenyl)-2-(4-methyl-3-oxo-1,4-diazepan-1-yl)acetamide?
The canonical SMILES for N-(3-amino-2-methylphenyl)-2-(4-methyl-3-oxo-1,4-diazepan-1-yl)acetamide is Cc1c(N)cccc1NC(=O)CN1CCCN(C)C(=O)C1.
What is the InChIKey of N-(3-amino-2-methylphenyl)-2-(4-methyl-3-oxo-1,4-diazepan-1-yl)acetamide?
The InChIKey is OUZZTXZQIQNLKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-11-12(16)5-3-6-13(11)17-14(20)9-19-8-4-7-18(2)15(21)10-19/h3,5-6H,4,7-10,16H2,1-2H3,(H,17,20).
What are the key properties of N-(3-amino-2-methylphenyl)-2-(4-methyl-3-oxo-1,4-diazepan-1-yl)acetamide?
N-(3-amino-2-methylphenyl)-2-(4-methyl-3-oxo-1,4-diazepan-1-yl)acetamide has a molecular weight of 290.37 g/mol, XLogP of 0.68, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methylphenyl)-2-(4-methyl-3-oxo-1,4-diazepan-1-yl)acetamide is sourced from PubChem (CID 102888500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).