ethane;N-(2-methylbutyl)propanamide

C10H23NO — CID 177054062

IUPACethane;N-(2-methylbutyl)propanamide
SMILESCC.CCC(=O)NCC(C)CC
InChIInChI=1S/C8H17NO.C2H6/c1-4-7(3)6-9-8(10)5-2;1-2/h7H,4-6H2,1-3H3,(H,9,10);1-2H3
InChIKeyGKUDAUFKWVZDKQ-UHFFFAOYSA-N
MW173.30 g/mol
LogP2.58
Rot. Bonds4

About ethane;N-(2-methylbutyl)propanamide

ethane;N-(2-methylbutyl)propanamide (PubChem CID 177054062) has the molecular formula C10H23NO and a molecular weight of 173.30 g/mol. Its IUPAC name is ethane;N-(2-methylbutyl)propanamide.

Molecular Properties

Compound Nameethane;N-(2-methylbutyl)propanamide
PubChem CID177054062
Molecular FormulaC10H23NO
Molecular Weight173.30 g/mol
Exact Mass173.18
IUPAC Nameethane;N-(2-methylbutyl)propanamide
SMILESCC.CCC(=O)NCC(C)CC
InChIInChI=1S/C8H17NO.C2H6/c1-4-7(3)6-9-8(10)5-2;1-2/h7H,4-6H2,1-3H3,(H,9,10);1-2H3
InChIKeyGKUDAUFKWVZDKQ-UHFFFAOYSA-N
XLogP2.58
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.30
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;N-(3-hydroxy-2-methylpropyl)propanamide
CID 155720922
3-methyl-4-(propanoylamino)butanoic acid
CID 81063139
3-methyl-5-(2-methylbutylamino)-5-oxopentanoic acid
CID 62963901
4-hydroxy-N-(2-methylbutyl)pentanamide
CID 79193367
[(2S)-2-methylbutyl]carbamic acid
CID 147069594
2-(butan-2-ylamino)-N-(2-methylbutyl)acetamide
CID 62691817
2-methylbutylurea
CID 22179633
2-methylbutylcarbamothioic S-acid
CID 87545764
N-(2-bromopropyl)propanamide
CID 87559070
N-[2-(propanoylamino)propyl]propanamide
CID 3569677
(2S)-2-methyl-N-(2-methylbutyl)butanamide;2-methyl-N-[(2S)-2-methylbutyl]butanamide;(2S)-2-methyl-N-[(2S)-2-methylbutyl]butanamide
CID 167576968
2-(2-methylbutylamino)-2-oxoacetic acid
CID 62693347

Frequently Asked Questions

What is the IUPAC name of ethane;N-(2-methylbutyl)propanamide?
The IUPAC name of ethane;N-(2-methylbutyl)propanamide (CID 177054062) is ethane;N-(2-methylbutyl)propanamide.
What is the SMILES notation for ethane;N-(2-methylbutyl)propanamide?
The canonical SMILES for ethane;N-(2-methylbutyl)propanamide is CC.CCC(=O)NCC(C)CC.
What is the InChIKey of ethane;N-(2-methylbutyl)propanamide?
The InChIKey is GKUDAUFKWVZDKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO.C2H6/c1-4-7(3)6-9-8(10)5-2;1-2/h7H,4-6H2,1-3H3,(H,9,10);1-2H3.
What are the key properties of ethane;N-(2-methylbutyl)propanamide?
ethane;N-(2-methylbutyl)propanamide has a molecular weight of 173.30 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(2-methylbutyl)propanamide is sourced from PubChem (CID 177054062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).