3-methyl-3-[[2-oxo-2-(pentan-2-ylamino)ethyl]amino]butanamide

C12H25N3O2 — CID 113429147

IUPAC3-methyl-3-[[2-oxo-2-(pentan-2-ylamino)ethyl]amino]butanamide
SMILESCCCC(C)NC(=O)CNC(C)(C)CC(N)=O
InChIInChI=1S/C12H25N3O2/c1-5-6-9(2)15-11(17)8-14-12(3,4)7-10(13)16/h9,14H,5-8H2,1-4H3,(H2,13,16)(H,15,17)
InChIKeyPNLMZFIVNSBJKZ-UHFFFAOYSA-N
MW243.35 g/mol
LogP0.53
Rot. Bonds8

About 3-methyl-3-[[2-oxo-2-(pentan-2-ylamino)ethyl]amino]butanamide

3-methyl-3-[[2-oxo-2-(pentan-2-ylamino)ethyl]amino]butanamide (PubChem CID 113429147) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is 3-methyl-3-[[2-oxo-2-(pentan-2-ylamino)ethyl]amino]butanamide.

Molecular Properties

Compound Name3-methyl-3-[[2-oxo-2-(pentan-2-ylamino)ethyl]amino]butanamide
PubChem CID113429147
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC Name3-methyl-3-[[2-oxo-2-(pentan-2-ylamino)ethyl]amino]butanamide
SMILESCCCC(C)NC(=O)CNC(C)(C)CC(N)=O
InChIInChI=1S/C12H25N3O2/c1-5-6-9(2)15-11(17)8-14-12(3,4)7-10(13)16/h9,14H,5-8H2,1-4H3,(H2,13,16)(H,15,17)
InChIKeyPNLMZFIVNSBJKZ-UHFFFAOYSA-N
XLogP0.53
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N'-pentan-2-ylpropanediamide
CID 88934201
2-[(2-amino-2-oxoethoxy)amino]-N-pentan-2-ylacetamide
CID 112673773
2-[(1-hydroxy-4-methylpentan-3-yl)amino]-N-pentan-2-ylacetamide
CID 104891892
2-(2,2-dimethylbutylamino)-N-pentan-2-ylacetamide
CID 103461265
2-(tert-butylamino)-N-[(2R)-1-hydroxypropan-2-yl]acetamide
CID 107218468
2-(3-hydroxybutylamino)-N-pentan-2-ylacetamide
CID 64911612
butyl 2-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]acetate
CID 104580235
2-methyl-4-oxo-4-(pentan-2-ylamino)-2-propan-2-ylbutanoic acid
CID 43529425
N-ethyl-2-[[2-oxo-2-(pentan-2-ylamino)ethyl]amino]acetamide
CID 60695403
2-bromo-N-pentan-2-ylacetamide
CID 54179178
2-(pentan-2-ylamino)-N-propan-2-ylacetamide
CID 43179512
2-(1-amino-2-methylpropan-2-yl)oxy-N-pentan-2-ylacetamide
CID 65053735

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-[[2-oxo-2-(pentan-2-ylamino)ethyl]amino]butanamide?
The IUPAC name of 3-methyl-3-[[2-oxo-2-(pentan-2-ylamino)ethyl]amino]butanamide (CID 113429147) is 3-methyl-3-[[2-oxo-2-(pentan-2-ylamino)ethyl]amino]butanamide.
What is the SMILES notation for 3-methyl-3-[[2-oxo-2-(pentan-2-ylamino)ethyl]amino]butanamide?
The canonical SMILES for 3-methyl-3-[[2-oxo-2-(pentan-2-ylamino)ethyl]amino]butanamide is CCCC(C)NC(=O)CNC(C)(C)CC(N)=O.
What is the InChIKey of 3-methyl-3-[[2-oxo-2-(pentan-2-ylamino)ethyl]amino]butanamide?
The InChIKey is PNLMZFIVNSBJKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-5-6-9(2)15-11(17)8-14-12(3,4)7-10(13)16/h9,14H,5-8H2,1-4H3,(H2,13,16)(H,15,17).
What are the key properties of 3-methyl-3-[[2-oxo-2-(pentan-2-ylamino)ethyl]amino]butanamide?
3-methyl-3-[[2-oxo-2-(pentan-2-ylamino)ethyl]amino]butanamide has a molecular weight of 243.35 g/mol, XLogP of 0.53, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-[[2-oxo-2-(pentan-2-ylamino)ethyl]amino]butanamide is sourced from PubChem (CID 113429147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).