N-[4-(aminooxyamino)butyl]-2-(propan-2-ylamino)acetamide

C9H22N4O2 — CID 171804657

IUPACN-[4-(aminooxyamino)butyl]-2-(propan-2-ylamino)acetamide
SMILESCC(C)NCC(=O)NCCCCNON
InChIInChI=1S/C9H22N4O2/c1-8(2)12-7-9(14)11-5-3-4-6-13-15-10/h8,12-13H,3-7,10H2,1-2H3,(H,11,14)
InChIKeyNLSMPZNBFHKOHQ-UHFFFAOYSA-N
MW218.30 g/mol
LogP-0.72
Rot. Bonds9

About N-[4-(aminooxyamino)butyl]-2-(propan-2-ylamino)acetamide

N-[4-(aminooxyamino)butyl]-2-(propan-2-ylamino)acetamide (PubChem CID 171804657) has the molecular formula C9H22N4O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is N-[4-(aminooxyamino)butyl]-2-(propan-2-ylamino)acetamide.

Molecular Properties

Compound NameN-[4-(aminooxyamino)butyl]-2-(propan-2-ylamino)acetamide
PubChem CID171804657
Molecular FormulaC9H22N4O2
Molecular Weight218.30 g/mol
Exact Mass218.17
IUPAC NameN-[4-(aminooxyamino)butyl]-2-(propan-2-ylamino)acetamide
SMILESCC(C)NCC(=O)NCCCCNON
InChIInChI=1S/C9H22N4O2/c1-8(2)12-7-9(14)11-5-3-4-6-13-15-10/h8,12-13H,3-7,10H2,1-2H3,(H,11,14)
InChIKeyNLSMPZNBFHKOHQ-UHFFFAOYSA-N
XLogP-0.72
TPSA88.41 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 5-0.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-hex-5-ynyl-2-(propan-2-ylamino)acetamide
CID 106213054
N-(8-oxodecyl)-2-(propan-2-ylamino)acetamide
CID 156798496
N-[2-[2-[2-(heptylamino)-2-oxoethoxy]ethoxy]ethyl]-2-(propan-2-ylamino)acetamide
CID 170597970
2-(propan-2-ylamino)-N-(2-propan-2-yloxyethyl)acetamide
CID 104761099
N-(8-methyl-7-oxonon-8-enyl)-2-(propan-2-ylamino)acetamide
CID 167215144
2-amino-N-[8-(propan-2-ylamino)octyl]acetamide
CID 154670935
N-(3-phenoxypropyl)-2-(propan-2-ylamino)acetamide
CID 62378949
2-[[2-[[2-(propan-2-ylamino)acetyl]amino]acetyl]amino]acetamide
CID 174356714
2-(propan-2-ylamino)-N-(3,3,3-trifluoropropyl)acetamide
CID 63226957
N-(3-methoxypropyl)-2-(propan-2-ylcarbamoylamino)acetamide
CID 112991240
N-[2-(diethylamino)ethyl]-2-(propan-2-ylamino)acetamide
CID 60843052
N-(2-oxopropoxymethyl)-2-(propan-2-ylamino)acetamide
CID 170712620

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminooxyamino)butyl]-2-(propan-2-ylamino)acetamide?
The IUPAC name of N-[4-(aminooxyamino)butyl]-2-(propan-2-ylamino)acetamide (CID 171804657) is N-[4-(aminooxyamino)butyl]-2-(propan-2-ylamino)acetamide.
What is the SMILES notation for N-[4-(aminooxyamino)butyl]-2-(propan-2-ylamino)acetamide?
The canonical SMILES for N-[4-(aminooxyamino)butyl]-2-(propan-2-ylamino)acetamide is CC(C)NCC(=O)NCCCCNON.
What is the InChIKey of N-[4-(aminooxyamino)butyl]-2-(propan-2-ylamino)acetamide?
The InChIKey is NLSMPZNBFHKOHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N4O2/c1-8(2)12-7-9(14)11-5-3-4-6-13-15-10/h8,12-13H,3-7,10H2,1-2H3,(H,11,14).
What are the key properties of N-[4-(aminooxyamino)butyl]-2-(propan-2-ylamino)acetamide?
N-[4-(aminooxyamino)butyl]-2-(propan-2-ylamino)acetamide has a molecular weight of 218.30 g/mol, XLogP of -0.72, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminooxyamino)butyl]-2-(propan-2-ylamino)acetamide is sourced from PubChem (CID 171804657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).