2-amino-N-(2,2-diethoxyethyl)-4-methyl-N-(2-methylbutyl)pentanamide

C17H36N2O3 — CID 169005620

IUPAC2-amino-N-(2,2-diethoxyethyl)-4-methyl-N-(2-methylbutyl)pentanamide
SMILESCCOC(CN(CC(C)CC)C(=O)C(N)CC(C)C)OCC
InChIInChI=1S/C17H36N2O3/c1-7-14(6)11-19(12-16(21-8-2)22-9-3)17(20)15(18)10-13(4)5/h13-16H,7-12,18H2,1-6H3
InChIKeyQANKPVJDILFDPW-UHFFFAOYSA-N
MW316.49 g/mol
LogP2.63
Rot. Bonds12

About 2-amino-N-(2,2-diethoxyethyl)-4-methyl-N-(2-methylbutyl)pentanamide

2-amino-N-(2,2-diethoxyethyl)-4-methyl-N-(2-methylbutyl)pentanamide (PubChem CID 169005620) has the molecular formula C17H36N2O3 and a molecular weight of 316.49 g/mol. Its IUPAC name is 2-amino-N-(2,2-diethoxyethyl)-4-methyl-N-(2-methylbutyl)pentanamide.

Molecular Properties

Compound Name2-amino-N-(2,2-diethoxyethyl)-4-methyl-N-(2-methylbutyl)pentanamide
PubChem CID169005620
Molecular FormulaC17H36N2O3
Molecular Weight316.49 g/mol
Exact Mass316.27
IUPAC Name2-amino-N-(2,2-diethoxyethyl)-4-methyl-N-(2-methylbutyl)pentanamide
SMILESCCOC(CN(CC(C)CC)C(=O)C(N)CC(C)C)OCC
InChIInChI=1S/C17H36N2O3/c1-7-14(6)11-19(12-16(21-8-2)22-9-3)17(20)15(18)10-13(4)5/h13-16H,7-12,18H2,1-6H3
InChIKeyQANKPVJDILFDPW-UHFFFAOYSA-N
XLogP2.63
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.49
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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)-3-hydroxy-N-(2-methylbutyl)propanamide
CID 169005613
ethyl N-[3-[[1-[2,2-diethoxyethyl(2-methylbutyl)amino]-4-methyl-1-oxopentan-2-yl]amino]-3-oxopropyl]carbamate
CID 175985142
[3-[[1-[2,2-diethoxyethyl(2-methylbutyl)amino]-4-methyl-1-oxopentan-2-yl]amino]-3-oxopropyl] carbamate
CID 175449259
2-amino-N,N-diethyl-4-methylpentanamide
CID 24697294
ethyl 2-[[(2R)-2-amino-4-methylpentanoyl]-(2-methylpropyl)amino]acetate
CID 93371679
(2S)-2-amino-N-(2,2-diethoxyethyl)-N-(3-methylbutyl)-4-methylsulfanylbutanamide
CID 142536844
methyl N-[1-[2,2-diethoxyethyl(2-methylbutyl)amino]-3-hydroxy-1-oxopropan-2-yl]carbamate
CID 175713309
(2R)-2-amino-N-butan-2-yl-N-ethyl-4-methylpentanamide
CID 104902610
(2S)-2-amino-N-(2,2-diethoxyethyl)-N-(3-methylbutyl)-4-phenylbutanamide
CID 118589325
(2S)-2-amino-N,N-bis(2-amino-2-oxoethyl)-4-methylpentanamide
CID 62922094
tert-butyl 4-[[(2S)-2-amino-4-methylpentanoyl]-(2,2-diethoxyethyl)amino]piperidine-1-carboxylate
CID 163240633
(2S)-2-amino-4-methyl-N,N-dipentylpentanamide
CID 61164908

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2,2-diethoxyethyl)-4-methyl-N-(2-methylbutyl)pentanamide?
The IUPAC name of 2-amino-N-(2,2-diethoxyethyl)-4-methyl-N-(2-methylbutyl)pentanamide (CID 169005620) is 2-amino-N-(2,2-diethoxyethyl)-4-methyl-N-(2-methylbutyl)pentanamide.
What is the SMILES notation for 2-amino-N-(2,2-diethoxyethyl)-4-methyl-N-(2-methylbutyl)pentanamide?
The canonical SMILES for 2-amino-N-(2,2-diethoxyethyl)-4-methyl-N-(2-methylbutyl)pentanamide is CCOC(CN(CC(C)CC)C(=O)C(N)CC(C)C)OCC.
What is the InChIKey of 2-amino-N-(2,2-diethoxyethyl)-4-methyl-N-(2-methylbutyl)pentanamide?
The InChIKey is QANKPVJDILFDPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2O3/c1-7-14(6)11-19(12-16(21-8-2)22-9-3)17(20)15(18)10-13(4)5/h13-16H,7-12,18H2,1-6H3.
What are the key properties of 2-amino-N-(2,2-diethoxyethyl)-4-methyl-N-(2-methylbutyl)pentanamide?
2-amino-N-(2,2-diethoxyethyl)-4-methyl-N-(2-methylbutyl)pentanamide has a molecular weight of 316.49 g/mol, XLogP of 2.63, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2,2-diethoxyethyl)-4-methyl-N-(2-methylbutyl)pentanamide is sourced from PubChem (CID 169005620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).