1-(10-acetyl-1,7-dioxa-4,10-diazacyclododec-4-yl)ethanone

C12H22N2O4 — CID 3792516

IUPAC1-(10-acetyl-1,7-dioxa-4,10-diazacyclododec-4-yl)ethanone
SMILESCC(=O)N1CCOCCN(C(C)=O)CCOCC1
InChIInChI=1S/C12H22N2O4/c1-11(15)13-3-7-17-9-5-14(12(2)16)6-10-18-8-4-13/h3-10H2,1-2H3
InChIKeyRWUAWXJRDSDWTC-UHFFFAOYSA-N
MW258.32 g/mol
LogP-0.27
Rot. Bonds

About 1-(10-acetyl-1,7-dioxa-4,10-diazacyclododec-4-yl)ethanone

1-(10-acetyl-1,7-dioxa-4,10-diazacyclododec-4-yl)ethanone (PubChem CID 3792516) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-(10-acetyl-1,7-dioxa-4,10-diazacyclododec-4-yl)ethanone.

Molecular Properties

Compound Name1-(10-acetyl-1,7-dioxa-4,10-diazacyclododec-4-yl)ethanone
PubChem CID3792516
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Name1-(10-acetyl-1,7-dioxa-4,10-diazacyclododec-4-yl)ethanone
SMILESCC(=O)N1CCOCCN(C(C)=O)CCOCC1
InChIInChI=1S/C12H22N2O4/c1-11(15)13-3-7-17-9-5-14(12(2)16)6-10-18-8-4-13/h3-10H2,1-2H3
InChIKeyRWUAWXJRDSDWTC-UHFFFAOYSA-N
XLogP-0.27
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 5-0.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,4,7-Trioxa-10-azacyclododecan-10-yl)ethanone
CID 949153
N-Ethyl-N-(2-methoxyethyl)acetamide
CID 23885
N,N-Bis(acetoxyethyl)acetamide
CID 21430
1,1'-(1,4,10-Trioxa-7,13-diazacyclopentadecane-7,13-diyl)diethanone
CID 3090865
1,4,10,13-Tetraoxa-7,16-diazacyclooctadecane, 7,16-diacetyl-
CID 3090866
N(2-Acetoxyethyl)-N-ethylacetamide
CID 27397
2-(2-(diethylamino)-2-oxoethoxy)-N,N-diethylacetamide
CID 12729092
Acetamide, N-(ethoxyethyl)-N-ethyl-
CID 50628
Acetamide, N-(2-butoxyethyl)-N-ethyl-
CID 3050601
1-(1,4,7,10,13-Pentaoxa-16-azacyclooctadec-16-yl)ethanone
CID 10335257
N,N,N',N'-Tetraethyl-3,6-dioxaoctanediamide
CID 12855435
2-fluoro-N,N-bis(2-methoxyethyl)acetamide
CID 59892566

Frequently Asked Questions

What is the IUPAC name of 1-(10-acetyl-1,7-dioxa-4,10-diazacyclododec-4-yl)ethanone?
The IUPAC name of 1-(10-acetyl-1,7-dioxa-4,10-diazacyclododec-4-yl)ethanone (CID 3792516) is 1-(10-acetyl-1,7-dioxa-4,10-diazacyclododec-4-yl)ethanone.
What is the SMILES notation for 1-(10-acetyl-1,7-dioxa-4,10-diazacyclododec-4-yl)ethanone?
The canonical SMILES for 1-(10-acetyl-1,7-dioxa-4,10-diazacyclododec-4-yl)ethanone is CC(=O)N1CCOCCN(C(C)=O)CCOCC1.
What is the InChIKey of 1-(10-acetyl-1,7-dioxa-4,10-diazacyclododec-4-yl)ethanone?
The InChIKey is RWUAWXJRDSDWTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-11(15)13-3-7-17-9-5-14(12(2)16)6-10-18-8-4-13/h3-10H2,1-2H3.
What are the key properties of 1-(10-acetyl-1,7-dioxa-4,10-diazacyclododec-4-yl)ethanone?
1-(10-acetyl-1,7-dioxa-4,10-diazacyclododec-4-yl)ethanone has a molecular weight of 258.32 g/mol, XLogP of -0.27, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(10-acetyl-1,7-dioxa-4,10-diazacyclododec-4-yl)ethanone is sourced from PubChem (CID 3792516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).