N-[2-[(2-methyl-3-nitrosobutan-2-yl)amino]ethyl]acetamide

C9H19N3O2 — CID 123710899

IUPACN-[2-[(2-methyl-3-nitrosobutan-2-yl)amino]ethyl]acetamide
SMILESCC(=O)NCCNC(C)(C)C(C)N=O
InChIInChI=1S/C9H19N3O2/c1-7(12-14)9(3,4)11-6-5-10-8(2)13/h7,11H,5-6H2,1-4H3,(H,10,13)
InChIKeyAETHRTZVKSWYOR-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.65
Rot. Bonds6

About N-[2-[(2-methyl-3-nitrosobutan-2-yl)amino]ethyl]acetamide

N-[2-[(2-methyl-3-nitrosobutan-2-yl)amino]ethyl]acetamide (PubChem CID 123710899) has the molecular formula C9H19N3O2 and a molecular weight of 201.27 g/mol. Its IUPAC name is N-[2-[(2-methyl-3-nitrosobutan-2-yl)amino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[(2-methyl-3-nitrosobutan-2-yl)amino]ethyl]acetamide
PubChem CID123710899
Molecular FormulaC9H19N3O2
Molecular Weight201.27 g/mol
Exact Mass201.15
IUPAC NameN-[2-[(2-methyl-3-nitrosobutan-2-yl)amino]ethyl]acetamide
SMILESCC(=O)NCCNC(C)(C)C(C)N=O
InChIInChI=1S/C9H19N3O2/c1-7(12-14)9(3,4)11-6-5-10-8(2)13/h7,11H,5-6H2,1-4H3,(H,10,13)
InChIKeyAETHRTZVKSWYOR-UHFFFAOYSA-N
XLogP0.65
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]ethyl]acetamide
CID 103993631
N-[2-(2,3,3-trimethylbutylamino)ethyl]acetamide
CID 107529863
(2S,3R)-N-(2-acetamidoethyl)-2-amino-3-[(2-methylpropan-2-yl)oxy]butanamide
CID 114274672
N-(2-acetamidoethyl)-2-bromopropanamide
CID 82110777
N-(2-acetamidoethyl)-2-amino-3,3-dimethylbutanamide
CID 76893602
N-[4-(tert-butylamino)butyl]acetamide
CID 139573721
N'-(2-acetamidoethyl)-N-(3-methylbutyl)oxamide
CID 108531294
4-(2-acetamidoethylamino)-2,3-dimethyl-4-oxobutanoic acid
CID 103496269
N-(3-acetamidopropyl)acetamide
CID 5147555
N-[2-(prop-1-en-2-ylamino)ethyl]acetamide
CID 21030566
N-[2-(methylamino)ethyl]acetamide;hydrochloride
CID 75480326
3-acetamidopropanoyloxidanium
CID 154009858

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-methyl-3-nitrosobutan-2-yl)amino]ethyl]acetamide?
The IUPAC name of N-[2-[(2-methyl-3-nitrosobutan-2-yl)amino]ethyl]acetamide (CID 123710899) is N-[2-[(2-methyl-3-nitrosobutan-2-yl)amino]ethyl]acetamide.
What is the SMILES notation for N-[2-[(2-methyl-3-nitrosobutan-2-yl)amino]ethyl]acetamide?
The canonical SMILES for N-[2-[(2-methyl-3-nitrosobutan-2-yl)amino]ethyl]acetamide is CC(=O)NCCNC(C)(C)C(C)N=O.
What is the InChIKey of N-[2-[(2-methyl-3-nitrosobutan-2-yl)amino]ethyl]acetamide?
The InChIKey is AETHRTZVKSWYOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2/c1-7(12-14)9(3,4)11-6-5-10-8(2)13/h7,11H,5-6H2,1-4H3,(H,10,13).
What are the key properties of N-[2-[(2-methyl-3-nitrosobutan-2-yl)amino]ethyl]acetamide?
N-[2-[(2-methyl-3-nitrosobutan-2-yl)amino]ethyl]acetamide has a molecular weight of 201.27 g/mol, XLogP of 0.65, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-methyl-3-nitrosobutan-2-yl)amino]ethyl]acetamide is sourced from PubChem (CID 123710899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).