N'-(2-acetamidoethyl)-N-(3-methylbutyl)oxamide

C11H21N3O3 — CID 108531294

IUPACN'-(2-acetamidoethyl)-N-(3-methylbutyl)oxamide
SMILESCC(=O)NCCNC(=O)C(=O)NCCC(C)C
InChIInChI=1S/C11H21N3O3/c1-8(2)4-5-13-10(16)11(17)14-7-6-12-9(3)15/h8H,4-7H2,1-3H3,(H,12,15)(H,13,16)(H,14,17)
InChIKeyQMGGRTHJUREJBG-UHFFFAOYSA-N
MW243.31 g/mol
LogP-0.60
Rot. Bonds6

About N'-(2-acetamidoethyl)-N-(3-methylbutyl)oxamide

N'-(2-acetamidoethyl)-N-(3-methylbutyl)oxamide (PubChem CID 108531294) has the molecular formula C11H21N3O3 and a molecular weight of 243.31 g/mol. Its IUPAC name is N'-(2-acetamidoethyl)-N-(3-methylbutyl)oxamide.

Molecular Properties

Compound NameN'-(2-acetamidoethyl)-N-(3-methylbutyl)oxamide
PubChem CID108531294
Molecular FormulaC11H21N3O3
Molecular Weight243.31 g/mol
Exact Mass243.16
IUPAC NameN'-(2-acetamidoethyl)-N-(3-methylbutyl)oxamide
SMILESCC(=O)NCCNC(=O)C(=O)NCCC(C)C
InChIInChI=1S/C11H21N3O3/c1-8(2)4-5-13-10(16)11(17)14-7-6-12-9(3)15/h8H,4-7H2,1-3H3,(H,12,15)(H,13,16)(H,14,17)
InChIKeyQMGGRTHJUREJBG-UHFFFAOYSA-N
XLogP-0.60
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 5-0.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-acetamidoethylamino)-N-(3-methylbutyl)propanamide
CID 43420237
N'-(3-methylbutyl)-N-pentyloxamide
CID 108521757
N-[3-(3-methylbutylamino)propyl]acetamide
CID 82364861
N-(2-acetamidoethyl)-N'-(2-hydroxyethyl)oxamide
CID 108527985
1,3-bis(3-methylbutyl)urea
CID 22563958
N-(3-acetamidobutyl)acetamide
CID 118918333
N'-[2-(diethylamino)ethyl]-N-(3-methylbutyl)oxamide
CID 108522253
N-(3-methylbutyl)-1-phosphanylformamide
CID 143734498
2,3-dimethyl-4-(3-methylbutylcarbamoylamino)-4-oxobut-2-enoic acid
CID 76992056
N-(2-acetamidoethyl)-N'-(2,2-dimethoxyethyl)oxamide
CID 108530037
2-acetamido-3-methyl-N-(3-methylbutyl)butanamide
CID 78784334
ethane;N-(6-methylheptyl)acetamide;molecular hydrogen
CID 145404699

Frequently Asked Questions

What is the IUPAC name of N'-(2-acetamidoethyl)-N-(3-methylbutyl)oxamide?
The IUPAC name of N'-(2-acetamidoethyl)-N-(3-methylbutyl)oxamide (CID 108531294) is N'-(2-acetamidoethyl)-N-(3-methylbutyl)oxamide.
What is the SMILES notation for N'-(2-acetamidoethyl)-N-(3-methylbutyl)oxamide?
The canonical SMILES for N'-(2-acetamidoethyl)-N-(3-methylbutyl)oxamide is CC(=O)NCCNC(=O)C(=O)NCCC(C)C.
What is the InChIKey of N'-(2-acetamidoethyl)-N-(3-methylbutyl)oxamide?
The InChIKey is QMGGRTHJUREJBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3/c1-8(2)4-5-13-10(16)11(17)14-7-6-12-9(3)15/h8H,4-7H2,1-3H3,(H,12,15)(H,13,16)(H,14,17).
What are the key properties of N'-(2-acetamidoethyl)-N-(3-methylbutyl)oxamide?
N'-(2-acetamidoethyl)-N-(3-methylbutyl)oxamide has a molecular weight of 243.31 g/mol, XLogP of -0.60, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-acetamidoethyl)-N-(3-methylbutyl)oxamide is sourced from PubChem (CID 108531294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).