N-(1-amino-3-methoxypropan-2-yl)-2-ethylhexanamide

C12H26N2O2 — CID 106180051

IUPACN-(1-amino-3-methoxypropan-2-yl)-2-ethylhexanamide
SMILESCCCCC(CC)C(=O)NC(CN)COC
InChIInChI=1S/C12H26N2O2/c1-4-6-7-10(5-2)12(15)14-11(8-13)9-16-3/h10-11H,4-9,13H2,1-3H3,(H,14,15)
InChIKeyJNMMDWWQJADCDP-UHFFFAOYSA-N
MW230.35 g/mol
LogP1.29
Rot. Bonds9

About N-(1-amino-3-methoxypropan-2-yl)-2-ethylhexanamide

N-(1-amino-3-methoxypropan-2-yl)-2-ethylhexanamide (PubChem CID 106180051) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is N-(1-amino-3-methoxypropan-2-yl)-2-ethylhexanamide.

Molecular Properties

Compound NameN-(1-amino-3-methoxypropan-2-yl)-2-ethylhexanamide
PubChem CID106180051
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC NameN-(1-amino-3-methoxypropan-2-yl)-2-ethylhexanamide
SMILESCCCCC(CC)C(=O)NC(CN)COC
InChIInChI=1S/C12H26N2O2/c1-4-6-7-10(5-2)12(15)14-11(8-13)9-16-3/h10-11H,4-9,13H2,1-3H3,(H,14,15)
InChIKeyJNMMDWWQJADCDP-UHFFFAOYSA-N
XLogP1.29
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-ethylhexanoylamino)-3-methoxypropanoic acid
CID 81076563
N-(1-amino-4-methylpentan-2-yl)-2-ethylhexanamide
CID 55243513
N-[(2S)-1-aminopropan-2-yl]-2-ethylhexanamide
CID 120504739
N-(1-amino-3-phenylpropan-2-yl)-2-ethylhexanamide
CID 63755951
N-(1-amino-1-sulfanylidenepentan-3-yl)-2-ethylhexanamide
CID 62651275
(2S)-5-amino-2-(2-ethylhexanoylamino)pentanoic acid
CID 18606616
2-(2-ethylhexanoylamino)hexanoic acid
CID 43469873
2-[2-(aminomethyl)butanoylamino]hexanoic acid
CID 65229403
N-(1-amino-1-hydroxyiminopentan-3-yl)-2-ethylhexanamide
CID 76947816
(2S)-2-ethylhexanehydrazide
CID 40549650
3-amino-2-methoxy-N-(1-methoxypentan-2-yl)propanamide
CID 106112962
2-[2-(aminomethyl)pentanoylamino]-3-methoxypropanoic acid
CID 81077823

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-3-methoxypropan-2-yl)-2-ethylhexanamide?
The IUPAC name of N-(1-amino-3-methoxypropan-2-yl)-2-ethylhexanamide (CID 106180051) is N-(1-amino-3-methoxypropan-2-yl)-2-ethylhexanamide.
What is the SMILES notation for N-(1-amino-3-methoxypropan-2-yl)-2-ethylhexanamide?
The canonical SMILES for N-(1-amino-3-methoxypropan-2-yl)-2-ethylhexanamide is CCCCC(CC)C(=O)NC(CN)COC.
What is the InChIKey of N-(1-amino-3-methoxypropan-2-yl)-2-ethylhexanamide?
The InChIKey is JNMMDWWQJADCDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-4-6-7-10(5-2)12(15)14-11(8-13)9-16-3/h10-11H,4-9,13H2,1-3H3,(H,14,15).
What are the key properties of N-(1-amino-3-methoxypropan-2-yl)-2-ethylhexanamide?
N-(1-amino-3-methoxypropan-2-yl)-2-ethylhexanamide has a molecular weight of 230.35 g/mol, XLogP of 1.29, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-3-methoxypropan-2-yl)-2-ethylhexanamide is sourced from PubChem (CID 106180051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).