2-amino-N-(2,2-diethoxyethyl)-3-hydroxy-N-(2-methylbutyl)propanamide

C14H30N2O4 — CID 169005613

IUPAC2-amino-N-(2,2-diethoxyethyl)-3-hydroxy-N-(2-methylbutyl)propanamide
SMILESCCOC(CN(CC(C)CC)C(=O)C(N)CO)OCC
InChIInChI=1S/C14H30N2O4/c1-5-11(4)8-16(14(18)12(15)10-17)9-13(19-6-2)20-7-3/h11-13,17H,5-10,15H2,1-4H3
InChIKeySENRIHWHYZGOSI-UHFFFAOYSA-N
MW290.40 g/mol
LogP0.58
Rot. Bonds11

About 2-amino-N-(2,2-diethoxyethyl)-3-hydroxy-N-(2-methylbutyl)propanamide

2-amino-N-(2,2-diethoxyethyl)-3-hydroxy-N-(2-methylbutyl)propanamide (PubChem CID 169005613) has the molecular formula C14H30N2O4 and a molecular weight of 290.40 g/mol. Its IUPAC name is 2-amino-N-(2,2-diethoxyethyl)-3-hydroxy-N-(2-methylbutyl)propanamide.

Molecular Properties

Compound Name2-amino-N-(2,2-diethoxyethyl)-3-hydroxy-N-(2-methylbutyl)propanamide
PubChem CID169005613
Molecular FormulaC14H30N2O4
Molecular Weight290.40 g/mol
Exact Mass290.22
IUPAC Name2-amino-N-(2,2-diethoxyethyl)-3-hydroxy-N-(2-methylbutyl)propanamide
SMILESCCOC(CN(CC(C)CC)C(=O)C(N)CO)OCC
InChIInChI=1S/C14H30N2O4/c1-5-11(4)8-16(14(18)12(15)10-17)9-13(19-6-2)20-7-3/h11-13,17H,5-10,15H2,1-4H3
InChIKeySENRIHWHYZGOSI-UHFFFAOYSA-N
XLogP0.58
TPSA85.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.40
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-(2,2-diethoxyethyl)-4-methyl-N-(2-methylbutyl)pentanamide
CID 169005620
methyl N-[1-[2,2-diethoxyethyl(2-methylbutyl)amino]-3-hydroxy-1-oxopropan-2-yl]carbamate
CID 175713309
(2S)-2-amino-N-(2,2-diethoxyethyl)-N-(3-methylbutyl)-4-methylsulfanylbutanamide
CID 142536844
[3-[[1-[2,2-diethoxyethyl(2-methylbutyl)amino]-4-methyl-1-oxopentan-2-yl]amino]-3-oxopropyl] carbamate
CID 175449259
ethyl N-[3-[[1-[2,2-diethoxyethyl(2-methylbutyl)amino]-4-methyl-1-oxopentan-2-yl]amino]-3-oxopropyl]carbamate
CID 175985142
(2R)-2-amino-N-ethyl-N-(2-methylbutyl)propanamide
CID 79469965
(2S)-2-amino-N-(2,2-diethoxyethyl)-N-(3-methylbutyl)-4-phenylbutanamide
CID 118589325
(2S,3S)-2-amino-N-ethyl-3-methyl-N-(2-methylbutyl)pentanamide
CID 79471014
2-amino-3-(4-chlorophenyl)-N-(2,2-diethoxyethyl)-N-ethylpropanamide
CID 67340778
(2S)-N-(2,2-dimethoxyethyl)-N-(2-methylbutyl)-2-(oxomethylamino)propanamide;fermium
CID 163281667
(2S)-2-amino-N-(2,2-diethoxyethyl)-N-(pyridin-4-ylmethyl)propanamide
CID 163240446
(2S)-2-amino-N-(2,2-diethoxyethyl)-N-(3,3-diphenylpropyl)-3-phenylpropanamide
CID 138469613

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2,2-diethoxyethyl)-3-hydroxy-N-(2-methylbutyl)propanamide?
The IUPAC name of 2-amino-N-(2,2-diethoxyethyl)-3-hydroxy-N-(2-methylbutyl)propanamide (CID 169005613) is 2-amino-N-(2,2-diethoxyethyl)-3-hydroxy-N-(2-methylbutyl)propanamide.
What is the SMILES notation for 2-amino-N-(2,2-diethoxyethyl)-3-hydroxy-N-(2-methylbutyl)propanamide?
The canonical SMILES for 2-amino-N-(2,2-diethoxyethyl)-3-hydroxy-N-(2-methylbutyl)propanamide is CCOC(CN(CC(C)CC)C(=O)C(N)CO)OCC.
What is the InChIKey of 2-amino-N-(2,2-diethoxyethyl)-3-hydroxy-N-(2-methylbutyl)propanamide?
The InChIKey is SENRIHWHYZGOSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O4/c1-5-11(4)8-16(14(18)12(15)10-17)9-13(19-6-2)20-7-3/h11-13,17H,5-10,15H2,1-4H3.
What are the key properties of 2-amino-N-(2,2-diethoxyethyl)-3-hydroxy-N-(2-methylbutyl)propanamide?
2-amino-N-(2,2-diethoxyethyl)-3-hydroxy-N-(2-methylbutyl)propanamide has a molecular weight of 290.40 g/mol, XLogP of 0.58, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2,2-diethoxyethyl)-3-hydroxy-N-(2-methylbutyl)propanamide is sourced from PubChem (CID 169005613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).