N-ethyl-N-(3-hydroxypropyl)-3,4,4-trimethylpentanamide

C13H27NO2 — CID 115771733

IUPACN-ethyl-N-(3-hydroxypropyl)-3,4,4-trimethylpentanamide
SMILESCCN(CCCO)C(=O)CC(C)C(C)(C)C
InChIInChI=1S/C13H27NO2/c1-6-14(8-7-9-15)12(16)10-11(2)13(3,4)5/h11,15H,6-10H2,1-5H3
InChIKeyXOEYVBMEPPSELF-UHFFFAOYSA-N
MW229.36 g/mol
LogP2.29
Rot. Bonds6

About N-ethyl-N-(3-hydroxypropyl)-3,4,4-trimethylpentanamide

N-ethyl-N-(3-hydroxypropyl)-3,4,4-trimethylpentanamide (PubChem CID 115771733) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is N-ethyl-N-(3-hydroxypropyl)-3,4,4-trimethylpentanamide.

Molecular Properties

Compound NameN-ethyl-N-(3-hydroxypropyl)-3,4,4-trimethylpentanamide
PubChem CID115771733
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC NameN-ethyl-N-(3-hydroxypropyl)-3,4,4-trimethylpentanamide
SMILESCCN(CCCO)C(=O)CC(C)C(C)(C)C
InChIInChI=1S/C13H27NO2/c1-6-14(8-7-9-15)12(16)10-11(2)13(3,4)5/h11,15H,6-10H2,1-5H3
InChIKeyXOEYVBMEPPSELF-UHFFFAOYSA-N
XLogP2.29
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-N-(3-hydroxypropyl)-4-methoxy-3-methylbutanamide
CID 115772100
3-[ethyl(3,4,4-trimethylpentanoyl)amino]-2-methylpropanoic acid
CID 63834633
N-(2-hydroxyethyl)-N,3,4,4-tetramethylpentanamide
CID 63834183
(2R)-2-amino-N-ethyl-N-(3-hydroxypropyl)-3,3-dimethylbutanamide
CID 104861744
N-[2-[ethyl(3-hydroxypropyl)amino]-2-oxoethyl]-2,2-dimethylpropanamide
CID 115771423
2-(aminomethyl)-N-ethyl-N-(3-hydroxypropyl)-4,4-dimethylpentanamide
CID 107472719
N-ethyl-N-(3-hydroxypropyl)-2-methylbutanamide
CID 115771825
2-bromo-N-ethyl-N-(3-hydroxypropyl)-2-methylpropanamide
CID 114329142
3,4,4-trimethyl-N-propyl-N-prop-2-ynylpentanamide
CID 78952265
N-ethyl-N-(3-hydroxypropyl)heptanamide
CID 115771582
N-ethyl-N-(3-hydroxypropyl)decanamide
CID 115771581
5-[ethyl(2-hydroxyethyl)amino]-3-methyl-5-oxopentanoic acid
CID 62965425

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(3-hydroxypropyl)-3,4,4-trimethylpentanamide?
The IUPAC name of N-ethyl-N-(3-hydroxypropyl)-3,4,4-trimethylpentanamide (CID 115771733) is N-ethyl-N-(3-hydroxypropyl)-3,4,4-trimethylpentanamide.
What is the SMILES notation for N-ethyl-N-(3-hydroxypropyl)-3,4,4-trimethylpentanamide?
The canonical SMILES for N-ethyl-N-(3-hydroxypropyl)-3,4,4-trimethylpentanamide is CCN(CCCO)C(=O)CC(C)C(C)(C)C.
What is the InChIKey of N-ethyl-N-(3-hydroxypropyl)-3,4,4-trimethylpentanamide?
The InChIKey is XOEYVBMEPPSELF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-6-14(8-7-9-15)12(16)10-11(2)13(3,4)5/h11,15H,6-10H2,1-5H3.
What are the key properties of N-ethyl-N-(3-hydroxypropyl)-3,4,4-trimethylpentanamide?
N-ethyl-N-(3-hydroxypropyl)-3,4,4-trimethylpentanamide has a molecular weight of 229.36 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(3-hydroxypropyl)-3,4,4-trimethylpentanamide is sourced from PubChem (CID 115771733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).