2-[4-(3-aminobutanoyl)-1,4-diazepan-1-yl]-N-ethylacetamide

C13H26N4O2 — CID 120872775

IUPAC2-[4-(3-aminobutanoyl)-1,4-diazepan-1-yl]-N-ethylacetamide
SMILESCCNC(=O)CN1CCCN(C(=O)CC(C)N)CC1
InChIInChI=1S/C13H26N4O2/c1-3-15-12(18)10-16-5-4-6-17(8-7-16)13(19)9-11(2)14/h11H,3-10,14H2,1-2H3,(H,15,18)
InChIKeyCVXGNQFSQOQQFU-UHFFFAOYSA-N
MW270.38 g/mol
LogP-0.61
Rot. Bonds5

About 2-[4-(3-aminobutanoyl)-1,4-diazepan-1-yl]-N-ethylacetamide

2-[4-(3-aminobutanoyl)-1,4-diazepan-1-yl]-N-ethylacetamide (PubChem CID 120872775) has the molecular formula C13H26N4O2 and a molecular weight of 270.38 g/mol. Its IUPAC name is 2-[4-(3-aminobutanoyl)-1,4-diazepan-1-yl]-N-ethylacetamide.

Molecular Properties

Compound Name2-[4-(3-aminobutanoyl)-1,4-diazepan-1-yl]-N-ethylacetamide
PubChem CID120872775
Molecular FormulaC13H26N4O2
Molecular Weight270.38 g/mol
Exact Mass270.21
IUPAC Name2-[4-(3-aminobutanoyl)-1,4-diazepan-1-yl]-N-ethylacetamide
SMILESCCNC(=O)CN1CCCN(C(=O)CC(C)N)CC1
InChIInChI=1S/C13H26N4O2/c1-3-15-12(18)10-16-5-4-6-17(8-7-16)13(19)9-11(2)14/h11H,3-10,14H2,1-2H3,(H,15,18)
InChIKeyCVXGNQFSQOQQFU-UHFFFAOYSA-N
XLogP-0.61
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 5-0.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,4-diazepan-1-yl]butan-1-one
CID 119844153
N-ethyl-2-[4-[3-(ethylamino)butanoyl]piperazin-1-yl]acetamide
CID 62837069
2-(azetidin-1-yl)-N-ethylacetamide
CID 129266397
2-[4-[(2R)-2-aminopropanoyl]piperazin-1-yl]-N-ethylacetamide
CID 54995847
4-(3-aminobutanoyl)-N-ethylpiperazine-1-carboxamide;hydrochloride
CID 119695739
2-[4-(2-amino-3-methylbutanoyl)piperazin-1-yl]-N-ethylacetamide
CID 54870603
2-[4-(3-amino-3-phenylpropanoyl)piperazin-1-yl]-N-ethylacetamide;dihydrochloride
CID 119952990
2-[4-[2-(ethylamino)-2-oxoethyl]-1,4-diazepan-1-yl]acetic acid
CID 55119243
ethane;N-ethyl-2-pyrrolidin-1-ylacetamide
CID 144584816
(3R)-3-amino-1-piperidin-1-ylbutan-1-one
CID 59102647
3-amino-1-[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]butan-1-one
CID 119859721
2-[4-(1-aminocyclobutanecarbonyl)piperazin-1-yl]-N-ethylacetamide
CID 81172624

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-aminobutanoyl)-1,4-diazepan-1-yl]-N-ethylacetamide?
The IUPAC name of 2-[4-(3-aminobutanoyl)-1,4-diazepan-1-yl]-N-ethylacetamide (CID 120872775) is 2-[4-(3-aminobutanoyl)-1,4-diazepan-1-yl]-N-ethylacetamide.
What is the SMILES notation for 2-[4-(3-aminobutanoyl)-1,4-diazepan-1-yl]-N-ethylacetamide?
The canonical SMILES for 2-[4-(3-aminobutanoyl)-1,4-diazepan-1-yl]-N-ethylacetamide is CCNC(=O)CN1CCCN(C(=O)CC(C)N)CC1.
What is the InChIKey of 2-[4-(3-aminobutanoyl)-1,4-diazepan-1-yl]-N-ethylacetamide?
The InChIKey is CVXGNQFSQOQQFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O2/c1-3-15-12(18)10-16-5-4-6-17(8-7-16)13(19)9-11(2)14/h11H,3-10,14H2,1-2H3,(H,15,18).
What are the key properties of 2-[4-(3-aminobutanoyl)-1,4-diazepan-1-yl]-N-ethylacetamide?
2-[4-(3-aminobutanoyl)-1,4-diazepan-1-yl]-N-ethylacetamide has a molecular weight of 270.38 g/mol, XLogP of -0.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-aminobutanoyl)-1,4-diazepan-1-yl]-N-ethylacetamide is sourced from PubChem (CID 120872775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).