N-(4-methoxybutan-2-yl)-2-methylpropanamide

C9H19NO2 — CID 62613401

IUPACN-(4-methoxybutan-2-yl)-2-methylpropanamide
SMILESCOCCC(C)NC(=O)C(C)C
InChIInChI=1S/C9H19NO2/c1-7(2)9(11)10-8(3)5-6-12-4/h7-8H,5-6H2,1-4H3,(H,10,11)
InChIKeyWJDFDORFPVGAIJ-UHFFFAOYSA-N
MW173.26 g/mol
LogP1.18
Rot. Bonds5

About N-(4-methoxybutan-2-yl)-2-methylpropanamide

N-(4-methoxybutan-2-yl)-2-methylpropanamide (PubChem CID 62613401) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is N-(4-methoxybutan-2-yl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(4-methoxybutan-2-yl)-2-methylpropanamide
PubChem CID62613401
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC NameN-(4-methoxybutan-2-yl)-2-methylpropanamide
SMILESCOCCC(C)NC(=O)C(C)C
InChIInChI=1S/C9H19NO2/c1-7(2)9(11)10-8(3)5-6-12-4/h7-8H,5-6H2,1-4H3,(H,10,11)
InChIKeyWJDFDORFPVGAIJ-UHFFFAOYSA-N
XLogP1.18
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methoxy-N-(4-methoxybutan-2-yl)acetamide
CID 62612246
3-(4-methoxybutan-2-ylamino)-3-oxopropanoic acid
CID 64604730
3-(4-methoxybutan-2-yl)-1,1-dimethylurea
CID 115603454
5-methoxy-2-(2-methylpropanoylamino)pentanoic acid
CID 81077391
N-(4-aminobutan-2-yl)-2-methylpropanamide
CID 62087211
(2S)-2-amino-N-(4-methoxybutan-2-yl)-4-methylsulfanylbutanamide;hydrochloride
CID 119313160
N-(4-methoxybutan-2-yl)-2-(propan-2-ylamino)acetamide
CID 64605255
3-methoxy-2-(4-methoxybutan-2-ylamino)propanoic acid
CID 103254849
N-(2-methoxyethoxy)-2-methylpropanamide
CID 58861228
N-(4-chloro-1-methoxybutan-2-yl)-2-methylpropanamide
CID 106155168
2-amino-N-[1-(dimethylamino)propan-2-yl]-4-methoxybutanamide
CID 82945682
N-[(2S)-1-aminopropan-2-yl]-2-methylpropanamide
CID 130636581

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxybutan-2-yl)-2-methylpropanamide?
The IUPAC name of N-(4-methoxybutan-2-yl)-2-methylpropanamide (CID 62613401) is N-(4-methoxybutan-2-yl)-2-methylpropanamide.
What is the SMILES notation for N-(4-methoxybutan-2-yl)-2-methylpropanamide?
The canonical SMILES for N-(4-methoxybutan-2-yl)-2-methylpropanamide is COCCC(C)NC(=O)C(C)C.
What is the InChIKey of N-(4-methoxybutan-2-yl)-2-methylpropanamide?
The InChIKey is WJDFDORFPVGAIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-7(2)9(11)10-8(3)5-6-12-4/h7-8H,5-6H2,1-4H3,(H,10,11).
What are the key properties of N-(4-methoxybutan-2-yl)-2-methylpropanamide?
N-(4-methoxybutan-2-yl)-2-methylpropanamide has a molecular weight of 173.26 g/mol, XLogP of 1.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxybutan-2-yl)-2-methylpropanamide is sourced from PubChem (CID 62613401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).