N-[2-[4-[2-(diethylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-2-oxoethyl]cyclopropanecarboxamide

C17H30N4O3 — CID 52600596

IUPACN-[2-[4-[2-(diethylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-2-oxoethyl]cyclopropanecarboxamide
SMILESCCN(CC)C(=O)CN1CCCN(C(=O)CNC(=O)C2CC2)CC1
InChIInChI=1S/C17H30N4O3/c1-3-20(4-2)16(23)13-19-8-5-9-21(11-10-19)15(22)12-18-17(24)14-6-7-14/h14H,3-13H2,1-2H3,(H,18,24)
InChIKeyMXWMSXVTRKMPTR-UHFFFAOYSA-N
MW338.45 g/mol
LogP-0.08
Rot. Bonds7

About N-[2-[4-[2-(diethylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-2-oxoethyl]cyclopropanecarboxamide

N-[2-[4-[2-(diethylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-2-oxoethyl]cyclopropanecarboxamide (PubChem CID 52600596) has the molecular formula C17H30N4O3 and a molecular weight of 338.45 g/mol. Its IUPAC name is N-[2-[4-[2-(diethylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-2-oxoethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[4-[2-(diethylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-2-oxoethyl]cyclopropanecarboxamide
PubChem CID52600596
Molecular FormulaC17H30N4O3
Molecular Weight338.45 g/mol
Exact Mass338.23
IUPAC NameN-[2-[4-[2-(diethylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-2-oxoethyl]cyclopropanecarboxamide
SMILESCCN(CC)C(=O)CN1CCCN(C(=O)CNC(=O)C2CC2)CC1
InChIInChI=1S/C17H30N4O3/c1-3-20(4-2)16(23)13-19-8-5-9-21(11-10-19)15(22)12-18-17(24)14-6-7-14/h14H,3-13H2,1-2H3,(H,18,24)
InChIKeyMXWMSXVTRKMPTR-UHFFFAOYSA-N
XLogP-0.08
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(6-acetamidohexanoyl)-1,4-diazepan-1-yl]-N,N-diethylacetamide
CID 55603367
2-[4-(4-aminopentanoyl)-1,4-diazepan-1-yl]-N,N-diethylacetamide
CID 120564514
N-[2-[4-[2-(diethylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-2-oxoethyl]-2-(3-fluorophenyl)acetamide
CID 55830425
tert-butyl 4-[2-(cyclopropanecarbonylamino)acetyl]-1,4-diazepane-1-carboxylate
CID 95752747
2-[4,7-bis[2-(diethylamino)-2-oxoethyl]-1,4,7-triazonan-1-yl]-N,N-diethylacetamide
CID 14434735
1-acetyl-N-(2-oxo-2-piperidin-1-ylethyl)piperidine-4-carboxamide
CID 110741930
4-[2-(diethylamino)-2-oxoethyl]-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-1,4-diazepane-1-carboxamide
CID 55768945
N,N-diethyl-2-[4-[1-(3-phenylpropanoyl)piperidine-4-carbonyl]-1,4-diazepan-1-yl]acetamide
CID 55634289
2-[4-[2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]-1,4-diazepan-1-yl]-N,N-diethylacetamide
CID 55642373
N,N-diethyl-2-[4-(2-pyrrolidin-2-ylacetyl)piperazin-1-yl]acetamide
CID 119837520
2-[4-[(2S)-2-amino-4-methylpentanoyl]-1,4-diazepan-1-yl]-N,N-diethylacetamide
CID 119844101
2-[4-(3-amino-2-methylpropyl)-1,4-diazepan-1-yl]-N,N-diethylacetamide
CID 43253014

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[2-(diethylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-2-oxoethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[4-[2-(diethylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-2-oxoethyl]cyclopropanecarboxamide (CID 52600596) is N-[2-[4-[2-(diethylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-2-oxoethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[4-[2-(diethylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-2-oxoethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[4-[2-(diethylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-2-oxoethyl]cyclopropanecarboxamide is CCN(CC)C(=O)CN1CCCN(C(=O)CNC(=O)C2CC2)CC1.
What is the InChIKey of N-[2-[4-[2-(diethylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-2-oxoethyl]cyclopropanecarboxamide?
The InChIKey is MXWMSXVTRKMPTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O3/c1-3-20(4-2)16(23)13-19-8-5-9-21(11-10-19)15(22)12-18-17(24)14-6-7-14/h14H,3-13H2,1-2H3,(H,18,24).
What are the key properties of N-[2-[4-[2-(diethylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-2-oxoethyl]cyclopropanecarboxamide?
N-[2-[4-[2-(diethylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-2-oxoethyl]cyclopropanecarboxamide has a molecular weight of 338.45 g/mol, XLogP of -0.08, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[2-(diethylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-2-oxoethyl]cyclopropanecarboxamide is sourced from PubChem (CID 52600596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).