3-ethoxy-N-[(2S)-2-(3-ethoxypropanoylamino)-2,4-dimethylpentyl]propanamide

C17H34N2O4 — CID 95769073

IUPAC3-ethoxy-N-[(2S)-2-(3-ethoxypropanoylamino)-2,4-dimethylpentyl]propanamide
SMILESCCOCCC(=O)NC[C@](C)(CC(C)C)NC(=O)CCOCC
InChIInChI=1S/C17H34N2O4/c1-6-22-10-8-15(20)18-13-17(5,12-14(3)4)19-16(21)9-11-23-7-2/h14H,6-13H2,1-5H3,(H,18,20)(H,19,21)/t17-/m0/s1
InChIKeyUNCXJCHEHYSKMM-KRWDZBQOSA-N
MW330.47 g/mol
LogP1.88
Rot. Bonds13

About 3-ethoxy-N-[(2S)-2-(3-ethoxypropanoylamino)-2,4-dimethylpentyl]propanamide

3-ethoxy-N-[(2S)-2-(3-ethoxypropanoylamino)-2,4-dimethylpentyl]propanamide (PubChem CID 95769073) has the molecular formula C17H34N2O4 and a molecular weight of 330.47 g/mol. Its IUPAC name is 3-ethoxy-N-[(2S)-2-(3-ethoxypropanoylamino)-2,4-dimethylpentyl]propanamide.

Molecular Properties

Compound Name3-ethoxy-N-[(2S)-2-(3-ethoxypropanoylamino)-2,4-dimethylpentyl]propanamide
PubChem CID95769073
Molecular FormulaC17H34N2O4
Molecular Weight330.47 g/mol
Exact Mass330.25
IUPAC Name3-ethoxy-N-[(2S)-2-(3-ethoxypropanoylamino)-2,4-dimethylpentyl]propanamide
SMILESCCOCCC(=O)NC[C@](C)(CC(C)C)NC(=O)CCOCC
InChIInChI=1S/C17H34N2O4/c1-6-22-10-8-15(20)18-13-17(5,12-14(3)4)19-16(21)9-11-23-7-2/h14H,6-13H2,1-5H3,(H,18,20)(H,19,21)/t17-/m0/s1
InChIKeyUNCXJCHEHYSKMM-KRWDZBQOSA-N
XLogP1.88
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-ethoxy-N-(2-hydroxy-2,4-dimethylpentyl)propanamide
CID 66179484
3-ethoxy-N-(2-hydroxy-2-methylpropyl)propanamide
CID 65109921
N-(1-amino-2,3-dimethylbutan-2-yl)-3-ethoxypropanamide;hydrochloride
CID 119606115
3-ethoxy-N-ethylpropanamide
CID 58030283
3-ethoxy-N-(2-hydroxypropyl)propanamide
CID 62589549
N-(1-amino-2,4-dimethylpentan-2-yl)-2-(2-ethoxyethoxy)propanamide
CID 119599208
N-(1-amino-2,4-dimethylpentan-2-yl)-N',N'-diethylpentanediamide;hydrochloride
CID 119598032
N-(2-hydroxy-2,3-dimethylbutyl)-3-(2-methylpropoxy)propanamide
CID 111484023
tert-butyl N-[2-(3-ethoxypropanoylamino)ethyl]carbamate
CID 155275245
N-(1-amino-2,4-dimethylpentan-2-yl)-2-butoxyacetamide
CID 119598279
N-(1-amino-2,4-dimethylpentan-2-yl)heptanamide
CID 115737471
N-(2-hydroxy-2-methylpropyl)-3-propoxypropanamide
CID 65109854

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[(2S)-2-(3-ethoxypropanoylamino)-2,4-dimethylpentyl]propanamide?
The IUPAC name of 3-ethoxy-N-[(2S)-2-(3-ethoxypropanoylamino)-2,4-dimethylpentyl]propanamide (CID 95769073) is 3-ethoxy-N-[(2S)-2-(3-ethoxypropanoylamino)-2,4-dimethylpentyl]propanamide.
What is the SMILES notation for 3-ethoxy-N-[(2S)-2-(3-ethoxypropanoylamino)-2,4-dimethylpentyl]propanamide?
The canonical SMILES for 3-ethoxy-N-[(2S)-2-(3-ethoxypropanoylamino)-2,4-dimethylpentyl]propanamide is CCOCCC(=O)NC[C@](C)(CC(C)C)NC(=O)CCOCC.
What is the InChIKey of 3-ethoxy-N-[(2S)-2-(3-ethoxypropanoylamino)-2,4-dimethylpentyl]propanamide?
The InChIKey is UNCXJCHEHYSKMM-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H34N2O4/c1-6-22-10-8-15(20)18-13-17(5,12-14(3)4)19-16(21)9-11-23-7-2/h14H,6-13H2,1-5H3,(H,18,20)(H,19,21)/t17-/m0/s1.
What are the key properties of 3-ethoxy-N-[(2S)-2-(3-ethoxypropanoylamino)-2,4-dimethylpentyl]propanamide?
3-ethoxy-N-[(2S)-2-(3-ethoxypropanoylamino)-2,4-dimethylpentyl]propanamide has a molecular weight of 330.47 g/mol, XLogP of 1.88, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[(2S)-2-(3-ethoxypropanoylamino)-2,4-dimethylpentyl]propanamide is sourced from PubChem (CID 95769073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).