N-(3-ethyl-2-hydroxypentyl)-2-methyl-3-(methylamino)propanamide

C12H26N2O2 — CID 103811142

IUPACN-(3-ethyl-2-hydroxypentyl)-2-methyl-3-(methylamino)propanamide
SMILESCCC(CC)C(O)CNC(=O)C(C)CNC
InChIInChI=1S/C12H26N2O2/c1-5-10(6-2)11(15)8-14-12(16)9(3)7-13-4/h9-11,13,15H,5-8H2,1-4H3,(H,14,16)
InChIKeyNMDNQBJCYVDTBH-UHFFFAOYSA-N
MW230.35 g/mol
LogP0.76
Rot. Bonds8

About N-(3-ethyl-2-hydroxypentyl)-2-methyl-3-(methylamino)propanamide

N-(3-ethyl-2-hydroxypentyl)-2-methyl-3-(methylamino)propanamide (PubChem CID 103811142) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is N-(3-ethyl-2-hydroxypentyl)-2-methyl-3-(methylamino)propanamide.

Molecular Properties

Compound NameN-(3-ethyl-2-hydroxypentyl)-2-methyl-3-(methylamino)propanamide
PubChem CID103811142
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC NameN-(3-ethyl-2-hydroxypentyl)-2-methyl-3-(methylamino)propanamide
SMILESCCC(CC)C(O)CNC(=O)C(C)CNC
InChIInChI=1S/C12H26N2O2/c1-5-10(6-2)11(15)8-14-12(16)9(3)7-13-4/h9-11,13,15H,5-8H2,1-4H3,(H,14,16)
InChIKeyNMDNQBJCYVDTBH-UHFFFAOYSA-N
XLogP0.76
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-ethyl-2-hydroxypentyl)-2-methylhexanamide
CID 114246674
(2S)-2-amino-N-(3-ethyl-2-hydroxypentyl)-3-methylpentanamide
CID 103833109
(2S)-N-[(2R,3S)-2-hydroxy-3-methylpentyl]-2-methylbutanamide
CID 97227824
2-methyl-N-[2-methyl-3-(methylamino)propyl]butanamide
CID 81478398
(2S)-2-amino-N-(3-ethyl-2-hydroxypentyl)-4-methylpentanamide;hydrochloride
CID 119783564
2-ethyl-N-(3-ethyl-2-hydroxypentyl)hexanamide
CID 103770593
N-ethyl-2-[(3-ethyl-2-hydroxypentyl)amino]propanamide
CID 106286124
N-(2-methoxy-3-methylbutyl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119813456
4-[(3-ethyl-2-hydroxypentyl)amino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 114168261
1-(3-ethyl-2-hydroxypentyl)-3-propylurea
CID 103657880
4-amino-N-(3-ethyl-2-hydroxypentyl)pentanamide;hydrochloride
CID 120562635
(2S)-2-methyl-N-(2-methylbutyl)butanamide;2-methyl-N-[(2S)-2-methylbutyl]butanamide;(2S)-2-methyl-N-[(2S)-2-methylbutyl]butanamide
CID 167576968

Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-2-hydroxypentyl)-2-methyl-3-(methylamino)propanamide?
The IUPAC name of N-(3-ethyl-2-hydroxypentyl)-2-methyl-3-(methylamino)propanamide (CID 103811142) is N-(3-ethyl-2-hydroxypentyl)-2-methyl-3-(methylamino)propanamide.
What is the SMILES notation for N-(3-ethyl-2-hydroxypentyl)-2-methyl-3-(methylamino)propanamide?
The canonical SMILES for N-(3-ethyl-2-hydroxypentyl)-2-methyl-3-(methylamino)propanamide is CCC(CC)C(O)CNC(=O)C(C)CNC.
What is the InChIKey of N-(3-ethyl-2-hydroxypentyl)-2-methyl-3-(methylamino)propanamide?
The InChIKey is NMDNQBJCYVDTBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-5-10(6-2)11(15)8-14-12(16)9(3)7-13-4/h9-11,13,15H,5-8H2,1-4H3,(H,14,16).
What are the key properties of N-(3-ethyl-2-hydroxypentyl)-2-methyl-3-(methylamino)propanamide?
N-(3-ethyl-2-hydroxypentyl)-2-methyl-3-(methylamino)propanamide has a molecular weight of 230.35 g/mol, XLogP of 0.76, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-2-hydroxypentyl)-2-methyl-3-(methylamino)propanamide is sourced from PubChem (CID 103811142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).