N-ethyl-N-(3-hydroxypropyl)-2-methylbutanamide

C10H21NO2 — CID 115771825

IUPACN-ethyl-N-(3-hydroxypropyl)-2-methylbutanamide
SMILESCCC(C)C(=O)N(CC)CCCO
InChIInChI=1S/C10H21NO2/c1-4-9(3)10(13)11(5-2)7-6-8-12/h9,12H,4-8H2,1-3H3
InChIKeyKMEHLQPLYCPMPP-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.26
Rot. Bonds6

About N-ethyl-N-(3-hydroxypropyl)-2-methylbutanamide

N-ethyl-N-(3-hydroxypropyl)-2-methylbutanamide (PubChem CID 115771825) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is N-ethyl-N-(3-hydroxypropyl)-2-methylbutanamide.

Molecular Properties

Compound NameN-ethyl-N-(3-hydroxypropyl)-2-methylbutanamide
PubChem CID115771825
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC NameN-ethyl-N-(3-hydroxypropyl)-2-methylbutanamide
SMILESCCC(C)C(=O)N(CC)CCCO
InChIInChI=1S/C10H21NO2/c1-4-9(3)10(13)11(5-2)7-6-8-12/h9,12H,4-8H2,1-3H3
InChIKeyKMEHLQPLYCPMPP-UHFFFAOYSA-N
XLogP1.26
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N,N-diethyl-2-methylbutanamide
CID 158106259
(2R)-2-amino-N-ethyl-N-(3-hydroxypropyl)-3,3-dimethylbutanamide
CID 104861744
2-(azetidin-3-yl)-N-ethyl-N-(3-hydroxypropyl)propanamide
CID 116678990
3-chloro-N-heptyl-N-(3-hydroxypropyl)-2-methylpropanamide
CID 55111093
2-(aminomethyl)-N-ethyl-N-(3-hydroxypropyl)-4,4-dimethylpentanamide
CID 107472719
N-ethyl-2-methyl-N-(2-phenylethyl)butanamide
CID 78853488
(2R)-2-[[ethyl(3-hydroxypropyl)carbamoyl]amino]propanoic acid
CID 104861849
N-ethyl-N-(3-hydroxypropyl)-3,4,4-trimethylpentanamide
CID 115771733
N-ethyl-2-(4-fluorophenoxy)-N-(3-hydroxypropyl)propanamide
CID 115771406
2-(4-chlorophenyl)sulfanyl-N-ethyl-N-(3-hydroxypropyl)propanamide
CID 115772031
3-[3-hydroxypropyl(2-methylpropanoyl)amino]-2-methylpropanoic acid
CID 82323660
N-ethyl-N-(3-hydroxypropyl)-4-methoxy-3-methylbutanamide
CID 115772100

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(3-hydroxypropyl)-2-methylbutanamide?
The IUPAC name of N-ethyl-N-(3-hydroxypropyl)-2-methylbutanamide (CID 115771825) is N-ethyl-N-(3-hydroxypropyl)-2-methylbutanamide.
What is the SMILES notation for N-ethyl-N-(3-hydroxypropyl)-2-methylbutanamide?
The canonical SMILES for N-ethyl-N-(3-hydroxypropyl)-2-methylbutanamide is CCC(C)C(=O)N(CC)CCCO.
What is the InChIKey of N-ethyl-N-(3-hydroxypropyl)-2-methylbutanamide?
The InChIKey is KMEHLQPLYCPMPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-4-9(3)10(13)11(5-2)7-6-8-12/h9,12H,4-8H2,1-3H3.
What are the key properties of N-ethyl-N-(3-hydroxypropyl)-2-methylbutanamide?
N-ethyl-N-(3-hydroxypropyl)-2-methylbutanamide has a molecular weight of 187.28 g/mol, XLogP of 1.26, 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)-2-methylbutanamide is sourced from PubChem (CID 115771825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).