3-methyl-N-(2-methylpropyl)butanamide;propan-2-yl N-(2-methylpropyl)carbamate

C17H36N2O3 — CID 162127345

IUPAC3-methyl-N-(2-methylpropyl)butanamide;propan-2-yl N-(2-methylpropyl)carbamate
SMILESCC(C)CNC(=O)CC(C)C.CC(C)CNC(=O)OC(C)C
InChIInChI=1S/C9H19NO.C8H17NO2/c1-7(2)5-9(11)10-6-8(3)4;1-6(2)5-9-8(10)11-7(3)4/h7-8H,5-6H2,1-4H3,(H,10,11);6-7H,5H2,1-4H3,(H,9,10)
InChIKeyZIFBTQGLQQDXOT-UHFFFAOYSA-N
MW316.49 g/mol
LogP3.58
Rot. Bonds7

About 3-methyl-N-(2-methylpropyl)butanamide;propan-2-yl N-(2-methylpropyl)carbamate

3-methyl-N-(2-methylpropyl)butanamide;propan-2-yl N-(2-methylpropyl)carbamate (PubChem CID 162127345) has the molecular formula C17H36N2O3 and a molecular weight of 316.49 g/mol. Its IUPAC name is 3-methyl-N-(2-methylpropyl)butanamide;propan-2-yl N-(2-methylpropyl)carbamate.

Molecular Properties

Compound Name3-methyl-N-(2-methylpropyl)butanamide;propan-2-yl N-(2-methylpropyl)carbamate
PubChem CID162127345
Molecular FormulaC17H36N2O3
Molecular Weight316.49 g/mol
Exact Mass316.27
IUPAC Name3-methyl-N-(2-methylpropyl)butanamide;propan-2-yl N-(2-methylpropyl)carbamate
SMILESCC(C)CNC(=O)CC(C)C.CC(C)CNC(=O)OC(C)C
InChIInChI=1S/C9H19NO.C8H17NO2/c1-7(2)5-9(11)10-6-8(3)4;1-6(2)5-9-8(10)11-7(3)4/h7-8H,5-6H2,1-4H3,(H,10,11);6-7H,5H2,1-4H3,(H,9,10)
InChIKeyZIFBTQGLQQDXOT-UHFFFAOYSA-N
XLogP3.58
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.49
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

propan-2-yl N-[1-(methoxycarbonylamino)-5-methyl-3-oxohexan-2-yl]carbamate
CID 58472992
N-(2,2-dimethylpropyl)-2-methylpropanamide;3-methyl-N-propan-2-ylbutanamide;1-(2-methylpropyl)-3-propan-2-ylurea;propan-2-yl N-(2-methylpropyl)carbamate
CID 158132370
methyl 2-methyl-3-(3-methylbutanoylamino)propanoate
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propan-2-yl N-(2-methyl-3-methylsulfanylpropyl)carbamate
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CID 158240408
propan-2-yl N-(4-hydroxy-2-methylbutyl)carbamate
CID 66106917
3-[(propan-2-yloxycarbonylamino)methyl]pentanoic acid
CID 81066315
methyl 2-bromo-3-(3-methylbutanoylamino)propanoate
CID 103492559
2-methoxy-3-(propan-2-yloxycarbonylamino)propanoic acid
CID 106108243
propan-2-yl N-(2-amino-2-cyclopropylethyl)carbamate
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N-(2-chloro-4-methylpentyl)-3-methylbutanamide
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3-cyano-N-(2-methylpropyl)butanamide
CID 82111297

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-methylpropyl)butanamide;propan-2-yl N-(2-methylpropyl)carbamate?
The IUPAC name of 3-methyl-N-(2-methylpropyl)butanamide;propan-2-yl N-(2-methylpropyl)carbamate (CID 162127345) is 3-methyl-N-(2-methylpropyl)butanamide;propan-2-yl N-(2-methylpropyl)carbamate.
What is the SMILES notation for 3-methyl-N-(2-methylpropyl)butanamide;propan-2-yl N-(2-methylpropyl)carbamate?
The canonical SMILES for 3-methyl-N-(2-methylpropyl)butanamide;propan-2-yl N-(2-methylpropyl)carbamate is CC(C)CNC(=O)CC(C)C.CC(C)CNC(=O)OC(C)C.
What is the InChIKey of 3-methyl-N-(2-methylpropyl)butanamide;propan-2-yl N-(2-methylpropyl)carbamate?
The InChIKey is ZIFBTQGLQQDXOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO.C8H17NO2/c1-7(2)5-9(11)10-6-8(3)4;1-6(2)5-9-8(10)11-7(3)4/h7-8H,5-6H2,1-4H3,(H,10,11);6-7H,5H2,1-4H3,(H,9,10).
What are the key properties of 3-methyl-N-(2-methylpropyl)butanamide;propan-2-yl N-(2-methylpropyl)carbamate?
3-methyl-N-(2-methylpropyl)butanamide;propan-2-yl N-(2-methylpropyl)carbamate has a molecular weight of 316.49 g/mol, XLogP of 3.58, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-methylpropyl)butanamide;propan-2-yl N-(2-methylpropyl)carbamate is sourced from PubChem (CID 162127345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).