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

C12H21N3O2 — CID 63258995

IUPACN-(cyclopropylmethyl)-2-(3-methyl-2-oxo-1,4-diazepan-1-yl)acetamide
SMILESCC1NCCCN(CC(=O)NCC2CC2)C1=O
InChIInChI=1S/C12H21N3O2/c1-9-12(17)15(6-2-5-13-9)8-11(16)14-7-10-3-4-10/h9-10,13H,2-8H2,1H3,(H,14,16)
InChIKeyTVLOMVISEPJJBC-UHFFFAOYSA-N
MW239.32 g/mol
LogP-0.28
Rot. Bonds4

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

N-(cyclopropylmethyl)-2-(3-methyl-2-oxo-1,4-diazepan-1-yl)acetamide (PubChem CID 63258995) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-(3-methyl-2-oxo-1,4-diazepan-1-yl)acetamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-(3-methyl-2-oxo-1,4-diazepan-1-yl)acetamide
PubChem CID63258995
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC NameN-(cyclopropylmethyl)-2-(3-methyl-2-oxo-1,4-diazepan-1-yl)acetamide
SMILESCC1NCCCN(CC(=O)NCC2CC2)C1=O
InChIInChI=1S/C12H21N3O2/c1-9-12(17)15(6-2-5-13-9)8-11(16)14-7-10-3-4-10/h9-10,13H,2-8H2,1H3,(H,14,16)
InChIKeyTVLOMVISEPJJBC-UHFFFAOYSA-N
XLogP-0.28
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-(3-methyl-2-oxo-1,4-diazepan-1-yl)acetamide?
The IUPAC name of N-(cyclopropylmethyl)-2-(3-methyl-2-oxo-1,4-diazepan-1-yl)acetamide (CID 63258995) is N-(cyclopropylmethyl)-2-(3-methyl-2-oxo-1,4-diazepan-1-yl)acetamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-(3-methyl-2-oxo-1,4-diazepan-1-yl)acetamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-(3-methyl-2-oxo-1,4-diazepan-1-yl)acetamide is CC1NCCCN(CC(=O)NCC2CC2)C1=O.
What is the InChIKey of N-(cyclopropylmethyl)-2-(3-methyl-2-oxo-1,4-diazepan-1-yl)acetamide?
The InChIKey is TVLOMVISEPJJBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-9-12(17)15(6-2-5-13-9)8-11(16)14-7-10-3-4-10/h9-10,13H,2-8H2,1H3,(H,14,16).
What are the key properties of N-(cyclopropylmethyl)-2-(3-methyl-2-oxo-1,4-diazepan-1-yl)acetamide?
N-(cyclopropylmethyl)-2-(3-methyl-2-oxo-1,4-diazepan-1-yl)acetamide has a molecular weight of 239.32 g/mol, XLogP of -0.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-(3-methyl-2-oxo-1,4-diazepan-1-yl)acetamide is sourced from PubChem (CID 63258995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).