N,N-diethyl-2-[4-(morpholine-3-carbonyl)-1,4-diazepan-1-yl]acetamide

C16H30N4O3 — CID 119844035

IUPACN,N-diethyl-2-[4-(morpholine-3-carbonyl)-1,4-diazepan-1-yl]acetamide
SMILESCCN(CC)C(=O)CN1CCCN(C(=O)C2COCCN2)CC1
InChIInChI=1S/C16H30N4O3/c1-3-19(4-2)15(21)12-18-7-5-8-20(10-9-18)16(22)14-13-23-11-6-17-14/h14,17H,3-13H2,1-2H3
InChIKeyXXENQRQSJOOFHO-UHFFFAOYSA-N
MW326.44 g/mol
LogP-0.62
Rot. Bonds5

About N,N-diethyl-2-[4-(morpholine-3-carbonyl)-1,4-diazepan-1-yl]acetamide

N,N-diethyl-2-[4-(morpholine-3-carbonyl)-1,4-diazepan-1-yl]acetamide (PubChem CID 119844035) has the molecular formula C16H30N4O3 and a molecular weight of 326.44 g/mol. Its IUPAC name is N,N-diethyl-2-[4-(morpholine-3-carbonyl)-1,4-diazepan-1-yl]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[4-(morpholine-3-carbonyl)-1,4-diazepan-1-yl]acetamide
PubChem CID119844035
Molecular FormulaC16H30N4O3
Molecular Weight326.44 g/mol
Exact Mass326.23
IUPAC NameN,N-diethyl-2-[4-(morpholine-3-carbonyl)-1,4-diazepan-1-yl]acetamide
SMILESCCN(CC)C(=O)CN1CCCN(C(=O)C2COCCN2)CC1
InChIInChI=1S/C16H30N4O3/c1-3-19(4-2)15(21)12-18-7-5-8-20(10-9-18)16(22)14-13-23-11-6-17-14/h14,17H,3-13H2,1-2H3
InChIKeyXXENQRQSJOOFHO-UHFFFAOYSA-N
XLogP-0.62
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 5-0.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(morpholine-3-carbonyl)piperazin-1-yl]-2-pyrrolidin-1-ylethanone;dihydrochloride
CID 119875990
1-[4-(morpholine-3-carbonyl)piperazin-1-yl]-2-morpholin-4-ylethanone
CID 119840026
cyclohexyl-[4-(morpholine-3-carbonyl)piperazin-1-yl]methanone;hydrochloride
CID 119755465
morpholin-3-yl-[4-(oxolan-3-ylmethyl)piperazin-1-yl]methanone
CID 119897502
[3-(azepan-1-ylmethyl)piperidin-1-yl]-morpholin-3-ylmethanone
CID 119875712
(3-ethylpyrrolidin-1-yl)-morpholin-3-ylmethanone
CID 115740814
morpholin-3-yl-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103812428
N,N-diethyl-2-[4-[(2S,4S)-2-methylpiperidine-4-carbonyl]piperazin-1-yl]acetamide
CID 120631697
N,N-dimethyl-2-[4-(oxolane-3-carbonyl)-1,4-diazepan-1-yl]acetamide
CID 131905064
2-[4,7-bis[2-(diethylamino)-2-oxoethyl]-1,4,7-triazonan-1-yl]-N,N-diethylacetamide
CID 14434735
[(3R)-morpholin-3-yl]-piperazin-1-ylmethanone;hydrochloride
CID 130992240
N,N-dimethyl-2-[4-[(2R)-pyrrolidine-2-carbonyl]piperazin-1-yl]acetamide
CID 103813307

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[4-(morpholine-3-carbonyl)-1,4-diazepan-1-yl]acetamide?
The IUPAC name of N,N-diethyl-2-[4-(morpholine-3-carbonyl)-1,4-diazepan-1-yl]acetamide (CID 119844035) is N,N-diethyl-2-[4-(morpholine-3-carbonyl)-1,4-diazepan-1-yl]acetamide.
What is the SMILES notation for N,N-diethyl-2-[4-(morpholine-3-carbonyl)-1,4-diazepan-1-yl]acetamide?
The canonical SMILES for N,N-diethyl-2-[4-(morpholine-3-carbonyl)-1,4-diazepan-1-yl]acetamide is CCN(CC)C(=O)CN1CCCN(C(=O)C2COCCN2)CC1.
What is the InChIKey of N,N-diethyl-2-[4-(morpholine-3-carbonyl)-1,4-diazepan-1-yl]acetamide?
The InChIKey is XXENQRQSJOOFHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O3/c1-3-19(4-2)15(21)12-18-7-5-8-20(10-9-18)16(22)14-13-23-11-6-17-14/h14,17H,3-13H2,1-2H3.
What are the key properties of N,N-diethyl-2-[4-(morpholine-3-carbonyl)-1,4-diazepan-1-yl]acetamide?
N,N-diethyl-2-[4-(morpholine-3-carbonyl)-1,4-diazepan-1-yl]acetamide has a molecular weight of 326.44 g/mol, XLogP of -0.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[4-(morpholine-3-carbonyl)-1,4-diazepan-1-yl]acetamide is sourced from PubChem (CID 119844035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).