2-amino-3-methyl-N-(2-oxopropyl)butanamide;carbanide;ethane;propan-1-amine;tungsten

C16H40N3O2W- — CID 163384720

IUPAC2-amino-3-methyl-N-(2-oxopropyl)butanamide;carbanide;ethane;propan-1-amine;tungsten
SMILESCC.CC.CC(=O)CNC(=O)C(N)C(C)C.CCCN.[CH3-].[W]
InChIInChI=1S/C8H16N2O2.C3H9N.2C2H6.CH3.W/c1-5(2)7(9)8(12)10-4-6(3)11;1-2-3-4;2*1-2;;/h5,7H,4,9H2,1-3H3,(H,10,12);2-4H2,1H3;2*1-2H3;1H3;/q;;;;-1;
InChIKeyKAUXIDXMXPNXCM-UHFFFAOYSA-N
MW490.36 g/mol
LogP2.53
Rot. Bonds5

About 2-amino-3-methyl-N-(2-oxopropyl)butanamide;carbanide;ethane;propan-1-amine;tungsten

2-amino-3-methyl-N-(2-oxopropyl)butanamide;carbanide;ethane;propan-1-amine;tungsten (PubChem CID 163384720) has the molecular formula C16H40N3O2W- and a molecular weight of 490.36 g/mol. Its IUPAC name is 2-amino-3-methyl-N-(2-oxopropyl)butanamide;carbanide;ethane;propan-1-amine;tungsten.

Molecular Properties

Compound Name2-amino-3-methyl-N-(2-oxopropyl)butanamide;carbanide;ethane;propan-1-amine;tungsten
PubChem CID163384720
Molecular FormulaC16H40N3O2W-
Molecular Weight490.36 g/mol
Exact Mass490.26
IUPAC Name2-amino-3-methyl-N-(2-oxopropyl)butanamide;carbanide;ethane;propan-1-amine;tungsten
SMILESCC.CC.CC(=O)CNC(=O)C(N)C(C)C.CCCN.[CH3-].[W]
InChIInChI=1S/C8H16N2O2.C3H9N.2C2H6.CH3.W/c1-5(2)7(9)8(12)10-4-6(3)11;1-2-3-4;2*1-2;;/h5,7H,4,9H2,1-3H3,(H,10,12);2-4H2,1H3;2*1-2H3;1H3;/q;;;;-1;
InChIKeyKAUXIDXMXPNXCM-UHFFFAOYSA-N
XLogP2.53
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.36
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-3-methyl-N-propylbutanamide;ethane
CID 143224871
(2R)-2-amino-3-methyl-N-(2-methylprop-2-enyl)butanamide
CID 104940094
2-[[(2S)-2-amino-3-methylbutanoyl]amino]acetic acid
CID 6993111
(2S)-2-amino-N-butyl-3-methylbutan(15N)amide
CID 158456312
(2S)-2-amino-N-[2-(butylamino)-2-oxoethyl]-3-methylbutanamide
CID 82962524
2-amino-N-(2-chloroprop-2-enyl)-3-methylbutanamide
CID 115734359
(2S)-2-amino-3-methyl-N-pentan-2-ylbutanamide
CID 61148058
2-[[2-[[(2S)-2-amino-3-methylbutanoyl]amino]acetyl]amino]acetic acid
CID 7004847
2-amino-N-(3,4-diamino-2,4-dioxobutyl)-3-methylbutanamide
CID 174452502
(2S)-2-amino-N-[2-[ethyl(propan-2-yl)amino]-2-oxoethyl]-3-methylbutanamide
CID 82961659
2-amino-3-methyl-N-(2-methylpropyl)butanamide
CID 19602466
(2S)-2-amino-N-[8-[[(2S)-2-amino-3-methylbutanoyl]amino]octyl]-3-methylbutanamide
CID 101248769

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-N-(2-oxopropyl)butanamide;carbanide;ethane;propan-1-amine;tungsten?
The IUPAC name of 2-amino-3-methyl-N-(2-oxopropyl)butanamide;carbanide;ethane;propan-1-amine;tungsten (CID 163384720) is 2-amino-3-methyl-N-(2-oxopropyl)butanamide;carbanide;ethane;propan-1-amine;tungsten.
What is the SMILES notation for 2-amino-3-methyl-N-(2-oxopropyl)butanamide;carbanide;ethane;propan-1-amine;tungsten?
The canonical SMILES for 2-amino-3-methyl-N-(2-oxopropyl)butanamide;carbanide;ethane;propan-1-amine;tungsten is CC.CC.CC(=O)CNC(=O)C(N)C(C)C.CCCN.[CH3-].[W].
What is the InChIKey of 2-amino-3-methyl-N-(2-oxopropyl)butanamide;carbanide;ethane;propan-1-amine;tungsten?
The InChIKey is KAUXIDXMXPNXCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2.C3H9N.2C2H6.CH3.W/c1-5(2)7(9)8(12)10-4-6(3)11;1-2-3-4;2*1-2;;/h5,7H,4,9H2,1-3H3,(H,10,12);2-4H2,1H3;2*1-2H3;1H3;/q;;;;-1;.
What are the key properties of 2-amino-3-methyl-N-(2-oxopropyl)butanamide;carbanide;ethane;propan-1-amine;tungsten?
2-amino-3-methyl-N-(2-oxopropyl)butanamide;carbanide;ethane;propan-1-amine;tungsten has a molecular weight of 490.36 g/mol, XLogP of 2.53, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-N-(2-oxopropyl)butanamide;carbanide;ethane;propan-1-amine;tungsten is sourced from PubChem (CID 163384720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).