6-(methylamino)-4-propyl-1,4-oxazepan-5-one

C9H18N2O2 — CID 20590196

IUPAC6-(methylamino)-4-propyl-1,4-oxazepan-5-one
SMILESCCCN1CCOCC(NC)C1=O
InChIInChI=1S/C9H18N2O2/c1-3-4-11-5-6-13-7-8(10-2)9(11)12/h8,10H,3-7H2,1-2H3
InChIKeyNTJPCBFNJDLKGK-UHFFFAOYSA-N
MW186.25 g/mol
LogP-0.16
Rot. Bonds3

About 6-(methylamino)-4-propyl-1,4-oxazepan-5-one

6-(methylamino)-4-propyl-1,4-oxazepan-5-one (PubChem CID 20590196) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 6-(methylamino)-4-propyl-1,4-oxazepan-5-one.

Molecular Properties

Compound Name6-(methylamino)-4-propyl-1,4-oxazepan-5-one
PubChem CID20590196
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name6-(methylamino)-4-propyl-1,4-oxazepan-5-one
SMILESCCCN1CCOCC(NC)C1=O
InChIInChI=1S/C9H18N2O2/c1-3-4-11-5-6-13-7-8(10-2)9(11)12/h8,10H,3-7H2,1-2H3
InChIKeyNTJPCBFNJDLKGK-UHFFFAOYSA-N
XLogP-0.16
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-Methyl-1,4-oxazepan-5-one
CID 55298771
1-(2-Methoxyethyl)-1,4-diazepan-2-one
CID 65362069
2-Amino-3-methoxy-1-(morpholin-4-yl)propan-1-one hydrochloride
CID 137951607
6-Amino-1,4-oxazepan-5-one hydrochloride
CID 138110841
2-Acetamido-3-methoxypropanamide
CID 54533530
N,N-dimethylmorpholine-3-carboxamide
CID 22992253
6-Amino-1,4-oxazepan-5-one
CID 77385508
2-Amino-3-methoxy-1-(morpholin-4-yl)propan-1-one
CID 81082196
(2R,9S,13S)-2,9,13-trimethyl-1-oxa-4,7,10-triazacyclotridecane-5,8,11-trione
CID 12111783
2-Acetamido-3-prop-2-ynoxypropanamide
CID 91156082
(2R)-2-acetamido-N-hexyl-3-methoxypropanamide
CID 132550888
ethyl N-(alpha-acetamido-alpha-ethoxycarbonylacetyl)sarcosinate
CID 177896168

Frequently Asked Questions

What is the IUPAC name of 6-(methylamino)-4-propyl-1,4-oxazepan-5-one?
The IUPAC name of 6-(methylamino)-4-propyl-1,4-oxazepan-5-one (CID 20590196) is 6-(methylamino)-4-propyl-1,4-oxazepan-5-one.
What is the SMILES notation for 6-(methylamino)-4-propyl-1,4-oxazepan-5-one?
The canonical SMILES for 6-(methylamino)-4-propyl-1,4-oxazepan-5-one is CCCN1CCOCC(NC)C1=O.
What is the InChIKey of 6-(methylamino)-4-propyl-1,4-oxazepan-5-one?
The InChIKey is NTJPCBFNJDLKGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-3-4-11-5-6-13-7-8(10-2)9(11)12/h8,10H,3-7H2,1-2H3.
What are the key properties of 6-(methylamino)-4-propyl-1,4-oxazepan-5-one?
6-(methylamino)-4-propyl-1,4-oxazepan-5-one has a molecular weight of 186.25 g/mol, XLogP of -0.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methylamino)-4-propyl-1,4-oxazepan-5-one is sourced from PubChem (CID 20590196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).