3-(cyclopropylamino)-1-(1,4-oxazepan-4-yl)propan-1-one

C11H20N2O2 — CID 62972370

IUPAC3-(cyclopropylamino)-1-(1,4-oxazepan-4-yl)propan-1-one
SMILESO=C(CCNC1CC1)N1CCCOCC1
InChIInChI=1S/C11H20N2O2/c14-11(4-5-12-10-2-3-10)13-6-1-8-15-9-7-13/h10,12H,1-9H2
InChIKeyUGAGNFCCDJYOLE-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.38
Rot. Bonds4

About 3-(cyclopropylamino)-1-(1,4-oxazepan-4-yl)propan-1-one

3-(cyclopropylamino)-1-(1,4-oxazepan-4-yl)propan-1-one (PubChem CID 62972370) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 3-(cyclopropylamino)-1-(1,4-oxazepan-4-yl)propan-1-one.

Molecular Properties

Compound Name3-(cyclopropylamino)-1-(1,4-oxazepan-4-yl)propan-1-one
PubChem CID62972370
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name3-(cyclopropylamino)-1-(1,4-oxazepan-4-yl)propan-1-one
SMILESO=C(CCNC1CC1)N1CCCOCC1
InChIInChI=1S/C11H20N2O2/c14-11(4-5-12-10-2-3-10)13-6-1-8-15-9-7-13/h10,12H,1-9H2
InChIKeyUGAGNFCCDJYOLE-UHFFFAOYSA-N
XLogP0.38
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(oxepan-4-ylamino)-1-piperidin-1-ylpropan-1-one
CID 112549732
1-morpholin-4-yl-3-(spiro[4.5]decan-8-ylamino)propan-1-one
CID 114817889
1-morpholin-4-yl-3-[(1-prop-2-ynylpiperidin-4-yl)amino]propan-1-one
CID 115713495
3-(cyclopropylamino)-1-piperazin-1-ylpropan-1-one
CID 60866002
1-morpholin-4-yl-3-[(3,3,5,5-tetramethylcyclohexyl)amino]propan-1-one
CID 103991059
3-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-1-morpholin-4-ylpropan-1-one
CID 106658991
1-(4-cyclopentylpiperazin-1-yl)-3-(cyclopropylamino)propan-1-one
CID 62368291
3-(cyclopentylamino)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propan-1-one
CID 109013639
3-[(2,2-dimethylcyclohexyl)amino]-1-morpholin-4-ylpropan-1-one
CID 112700334
N-cyclopropyl-1,4-oxazepane-4-carboxamide
CID 115597922
1-morpholin-4-yl-3-(propan-2-ylamino)propan-1-one
CID 60853589
1-pyrrolidin-1-yl-3-(pyrrolidin-3-ylamino)propan-1-one
CID 79724661

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylamino)-1-(1,4-oxazepan-4-yl)propan-1-one?
The IUPAC name of 3-(cyclopropylamino)-1-(1,4-oxazepan-4-yl)propan-1-one (CID 62972370) is 3-(cyclopropylamino)-1-(1,4-oxazepan-4-yl)propan-1-one.
What is the SMILES notation for 3-(cyclopropylamino)-1-(1,4-oxazepan-4-yl)propan-1-one?
The canonical SMILES for 3-(cyclopropylamino)-1-(1,4-oxazepan-4-yl)propan-1-one is O=C(CCNC1CC1)N1CCCOCC1.
What is the InChIKey of 3-(cyclopropylamino)-1-(1,4-oxazepan-4-yl)propan-1-one?
The InChIKey is UGAGNFCCDJYOLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c14-11(4-5-12-10-2-3-10)13-6-1-8-15-9-7-13/h10,12H,1-9H2.
What are the key properties of 3-(cyclopropylamino)-1-(1,4-oxazepan-4-yl)propan-1-one?
3-(cyclopropylamino)-1-(1,4-oxazepan-4-yl)propan-1-one has a molecular weight of 212.29 g/mol, XLogP of 0.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylamino)-1-(1,4-oxazepan-4-yl)propan-1-one is sourced from PubChem (CID 62972370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).