2-[(1-methoxy-3-methylbutan-2-yl)amino]-N-(2-methylpropyl)acetamide

C12H26N2O2 — CID 65049142

IUPAC2-[(1-methoxy-3-methylbutan-2-yl)amino]-N-(2-methylpropyl)acetamide
SMILESCOCC(NCC(=O)NCC(C)C)C(C)C
InChIInChI=1S/C12H26N2O2/c1-9(2)6-14-12(15)7-13-11(8-16-5)10(3)4/h9-11,13H,6-8H2,1-5H3,(H,14,15)
InChIKeyLSMNMNQOUHCGGA-UHFFFAOYSA-N
MW230.35 g/mol
LogP1.02
Rot. Bonds8

About 2-[(1-methoxy-3-methylbutan-2-yl)amino]-N-(2-methylpropyl)acetamide

2-[(1-methoxy-3-methylbutan-2-yl)amino]-N-(2-methylpropyl)acetamide (PubChem CID 65049142) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 2-[(1-methoxy-3-methylbutan-2-yl)amino]-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-[(1-methoxy-3-methylbutan-2-yl)amino]-N-(2-methylpropyl)acetamide
PubChem CID65049142
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Name2-[(1-methoxy-3-methylbutan-2-yl)amino]-N-(2-methylpropyl)acetamide
SMILESCOCC(NCC(=O)NCC(C)C)C(C)C
InChIInChI=1S/C12H26N2O2/c1-9(2)6-14-12(15)7-13-11(8-16-5)10(3)4/h9-11,13H,6-8H2,1-5H3,(H,14,15)
InChIKeyLSMNMNQOUHCGGA-UHFFFAOYSA-N
XLogP1.02
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1-ethoxy-3-methylbutan-2-yl)amino]-N-(2-methylpropyl)acetamide
CID 114114949
2-[(1-hydroxy-4-methylpentan-3-yl)amino]-N-(2-methylpropyl)acetamide
CID 104696201
N-tert-butyl-2-[(1-methoxy-3-methylbutan-2-yl)amino]acetamide
CID 65048909
2-[[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]amino]-N-(2-methylpropyl)acetamide
CID 86786946
3-[(1-methoxy-3-methylbutan-2-yl)amino]-N-methylpropanamide
CID 65048928
N-(2-methoxyethyl)-2-[[2-(2-methylpropylamino)-2-oxoethyl]amino]acetamide
CID 112683626
2-[(1-methoxy-2-methylpropan-2-yl)amino]-N-(2-methylpropyl)acetamide
CID 115609553
2-(4-methylpentan-2-ylamino)-N-(2-methylpropyl)acetamide
CID 43372222
methyl 2-bromo-3-[(1-methoxy-3-methylbutan-2-yl)amino]propanoate
CID 103254031
3-methoxy-2-[[2-(2-methylpropylamino)-2-oxoethyl]carbamoylamino]propanoic acid
CID 113405671
3-[2-[(1-methoxy-3-methylbutan-2-yl)amino]ethyl]-1,1-dimethylurea
CID 83116380
2-[(1-methoxy-4-methylpentan-3-yl)amino]-N-methylacetamide
CID 115706789

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methoxy-3-methylbutan-2-yl)amino]-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-[(1-methoxy-3-methylbutan-2-yl)amino]-N-(2-methylpropyl)acetamide (CID 65049142) is 2-[(1-methoxy-3-methylbutan-2-yl)amino]-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-[(1-methoxy-3-methylbutan-2-yl)amino]-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-[(1-methoxy-3-methylbutan-2-yl)amino]-N-(2-methylpropyl)acetamide is COCC(NCC(=O)NCC(C)C)C(C)C.
What is the InChIKey of 2-[(1-methoxy-3-methylbutan-2-yl)amino]-N-(2-methylpropyl)acetamide?
The InChIKey is LSMNMNQOUHCGGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-9(2)6-14-12(15)7-13-11(8-16-5)10(3)4/h9-11,13H,6-8H2,1-5H3,(H,14,15).
What are the key properties of 2-[(1-methoxy-3-methylbutan-2-yl)amino]-N-(2-methylpropyl)acetamide?
2-[(1-methoxy-3-methylbutan-2-yl)amino]-N-(2-methylpropyl)acetamide has a molecular weight of 230.35 g/mol, XLogP of 1.02, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methoxy-3-methylbutan-2-yl)amino]-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 65049142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).