2-(3-methyl-1,4-oxazepan-4-yl)propanamide

C9H18N2O2 — CID 130943361

IUPAC2-(3-methyl-1,4-oxazepan-4-yl)propanamide
SMILESCC1COCCCN1C(C)C(N)=O
InChIInChI=1S/C9H18N2O2/c1-7-6-13-5-3-4-11(7)8(2)9(10)12/h7-8H,3-6H2,1-2H3,(H2,10,12)
InChIKeyACIFJIPZZNNTTG-UHFFFAOYSA-N
MW186.25 g/mol
LogP-0.03
Rot. Bonds2

About 2-(3-methyl-1,4-oxazepan-4-yl)propanamide

2-(3-methyl-1,4-oxazepan-4-yl)propanamide (PubChem CID 130943361) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 2-(3-methyl-1,4-oxazepan-4-yl)propanamide.

Molecular Properties

Compound Name2-(3-methyl-1,4-oxazepan-4-yl)propanamide
PubChem CID130943361
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name2-(3-methyl-1,4-oxazepan-4-yl)propanamide
SMILESCC1COCCCN1C(C)C(N)=O
InChIInChI=1S/C9H18N2O2/c1-7-6-13-5-3-4-11(7)8(2)9(10)12/h7-8H,3-6H2,1-2H3,(H2,10,12)
InChIKeyACIFJIPZZNNTTG-UHFFFAOYSA-N
XLogP-0.03
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methylmorpholin-4-yl)propanehydrazide
CID 63573861
4-(3-methyl-1,4-oxazepan-4-yl)pentan-2-amine
CID 130952021
3-methyl-N-propan-2-yl-1,4-oxazepane-4-carboxamide
CID 130834986
2-chloro-1-(3-methyl-1,4-oxazepan-4-yl)propan-1-one
CID 127001228
1-(1-amino-1-oxopropan-2-yl)-3-methylpiperidine-2-carboxylic acid
CID 107072433
propan-2-yl 3-methyl-1,4-oxazepane-4-carboxylate
CID 130987232
2-methoxy-1-(3-methyl-1,4-oxazepan-4-yl)propan-1-one
CID 130847241
cyclopropyl-(4-propan-2-yl-1,4-oxazepan-3-yl)methanone
CID 176594391
(3R)-3,4-dimethyl-1,4-oxazepane
CID 67472015
bis(2-morpholin-4-ylpropanamide);hydrate
CID 175797150
1-(1-amino-1-oxopropan-2-yl)azepane-2-carboxylic acid
CID 64564332
(2R)-2-[(3R)-3-methylmorpholin-4-yl]propan-1-amine
CID 124710087

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-1,4-oxazepan-4-yl)propanamide?
The IUPAC name of 2-(3-methyl-1,4-oxazepan-4-yl)propanamide (CID 130943361) is 2-(3-methyl-1,4-oxazepan-4-yl)propanamide.
What is the SMILES notation for 2-(3-methyl-1,4-oxazepan-4-yl)propanamide?
The canonical SMILES for 2-(3-methyl-1,4-oxazepan-4-yl)propanamide is CC1COCCCN1C(C)C(N)=O.
What is the InChIKey of 2-(3-methyl-1,4-oxazepan-4-yl)propanamide?
The InChIKey is ACIFJIPZZNNTTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-7-6-13-5-3-4-11(7)8(2)9(10)12/h7-8H,3-6H2,1-2H3,(H2,10,12).
What are the key properties of 2-(3-methyl-1,4-oxazepan-4-yl)propanamide?
2-(3-methyl-1,4-oxazepan-4-yl)propanamide has a molecular weight of 186.25 g/mol, XLogP of -0.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-1,4-oxazepan-4-yl)propanamide is sourced from PubChem (CID 130943361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).