ethane;N-(3-hydroxypropyl)-2,2-dimethylpropanamide

C12H29NO2 — CID 144592534

IUPACethane;N-(3-hydroxypropyl)-2,2-dimethylpropanamide
SMILESCC.CC.CC(C)(C)C(=O)NCCCO
InChIInChI=1S/C8H17NO2.2C2H6/c1-8(2,3)7(11)9-5-4-6-10;2*1-2/h10H,4-6H2,1-3H3,(H,9,11);2*1-2H3
InChIKeyDBBDBBBEZDEHKS-UHFFFAOYSA-N
MW219.37 g/mol
LogP2.58
Rot. Bonds3

About ethane;N-(3-hydroxypropyl)-2,2-dimethylpropanamide

ethane;N-(3-hydroxypropyl)-2,2-dimethylpropanamide (PubChem CID 144592534) has the molecular formula C12H29NO2 and a molecular weight of 219.37 g/mol. Its IUPAC name is ethane;N-(3-hydroxypropyl)-2,2-dimethylpropanamide.

Molecular Properties

Compound Nameethane;N-(3-hydroxypropyl)-2,2-dimethylpropanamide
PubChem CID144592534
Molecular FormulaC12H29NO2
Molecular Weight219.37 g/mol
Exact Mass219.22
IUPAC Nameethane;N-(3-hydroxypropyl)-2,2-dimethylpropanamide
SMILESCC.CC.CC(C)(C)C(=O)NCCCO
InChIInChI=1S/C8H17NO2.2C2H6/c1-8(2,3)7(11)9-5-4-6-10;2*1-2/h10H,4-6H2,1-3H3,(H,9,11);2*1-2H3
InChIKeyDBBDBBBEZDEHKS-UHFFFAOYSA-N
XLogP2.58
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-hydroxyethyl)-2,2-dimethylpropanamide
CID 15074197
4-hydroxy-N-(3-hydroxypropyl)-2,2-dimethylbutanamide
CID 176553127
N-[2-(6-hydroxyhexylamino)-2-oxoethyl]-2,2-dimethylpropanamide
CID 103919391
2,2-dimethyl-N-tetradecylpropanamide
CID 11220230
2-cyano-N-(3-hydroxypropyl)-2-methylpropanamide
CID 61059693
N-(3-methoxypropyl)-2,2-dimethylpropanamide
CID 4152468
N-[4-[bis(2-hydroxyethyl)amino]-4-oxobutyl]-2,2-dimethylpropanamide
CID 61234331
2,4-dihydroxy-N-(3-hydroxypropyl)-2,3-dimethyl-3-methylbutanamide
CID 123949193
N-(4-hydroxybutyl)-2-methyl-2-(methylamino)propanamide
CID 106842052
N-[1-(4-hydroxybutylamino)-1-oxopropan-2-yl]-2,2-dimethylpropanamide
CID 106843633
5-(2,2-dimethylpropanoylamino)-N,2,2-trimethylpentanamide
CID 134364568
N-[4-(dimethylamino)-4-oxobutyl]-2,2-dimethylpropanamide
CID 60718041

Frequently Asked Questions

What is the IUPAC name of ethane;N-(3-hydroxypropyl)-2,2-dimethylpropanamide?
The IUPAC name of ethane;N-(3-hydroxypropyl)-2,2-dimethylpropanamide (CID 144592534) is ethane;N-(3-hydroxypropyl)-2,2-dimethylpropanamide.
What is the SMILES notation for ethane;N-(3-hydroxypropyl)-2,2-dimethylpropanamide?
The canonical SMILES for ethane;N-(3-hydroxypropyl)-2,2-dimethylpropanamide is CC.CC.CC(C)(C)C(=O)NCCCO.
What is the InChIKey of ethane;N-(3-hydroxypropyl)-2,2-dimethylpropanamide?
The InChIKey is DBBDBBBEZDEHKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2.2C2H6/c1-8(2,3)7(11)9-5-4-6-10;2*1-2/h10H,4-6H2,1-3H3,(H,9,11);2*1-2H3.
What are the key properties of ethane;N-(3-hydroxypropyl)-2,2-dimethylpropanamide?
ethane;N-(3-hydroxypropyl)-2,2-dimethylpropanamide has a molecular weight of 219.37 g/mol, XLogP of 2.58, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(3-hydroxypropyl)-2,2-dimethylpropanamide is sourced from PubChem (CID 144592534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).