ethyl 4-[2-ethoxyethyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)pentanoate

C16H34N2O3 — CID 81044614

IUPACethyl 4-[2-ethoxyethyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)pentanoate
SMILESCCOCCN(C)C(C)CC(C)(NC(C)C)C(=O)OCC
InChIInChI=1S/C16H34N2O3/c1-8-20-11-10-18(7)14(5)12-16(6,17-13(3)4)15(19)21-9-2/h13-14,17H,8-12H2,1-7H3
InChIKeyRJANIGIABVEEGP-UHFFFAOYSA-N
MW302.46 g/mol
LogP2.05
Rot. Bonds11

About ethyl 4-[2-ethoxyethyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)pentanoate

ethyl 4-[2-ethoxyethyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)pentanoate (PubChem CID 81044614) has the molecular formula C16H34N2O3 and a molecular weight of 302.46 g/mol. Its IUPAC name is ethyl 4-[2-ethoxyethyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)pentanoate.

Molecular Properties

Compound Nameethyl 4-[2-ethoxyethyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)pentanoate
PubChem CID81044614
Molecular FormulaC16H34N2O3
Molecular Weight302.46 g/mol
Exact Mass302.26
IUPAC Nameethyl 4-[2-ethoxyethyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)pentanoate
SMILESCCOCCN(C)C(C)CC(C)(NC(C)C)C(=O)OCC
InChIInChI=1S/C16H34N2O3/c1-8-20-11-10-18(7)14(5)12-16(6,17-13(3)4)15(19)21-9-2/h13-14,17H,8-12H2,1-7H3
InChIKeyRJANIGIABVEEGP-UHFFFAOYSA-N
XLogP2.05
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[2-ethoxyethyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)pentanamide
CID 81061737
ethyl 2-methyl-4-[methyl(3-methylbutyl)amino]-2-(propan-2-ylamino)pentanoate
CID 64710729
ethyl 2-methyl-4-[methyl(2,2,2-trifluoroethyl)amino]-2-(propan-2-ylamino)pentanoate
CID 64710599
2-amino-4-[2-ethoxyethyl(methyl)amino]-2-methylpentanamide
CID 81061651
2-methyl-4-[methyl(2-propan-2-yloxyethyl)amino]-2-(propan-2-ylamino)pentanoic acid
CID 81074022
ethyl 2-(ethylamino)-4-[3-methoxypropyl(methyl)amino]-2-methylpentanoate
CID 64704564
ethyl 4-[2-(2-methoxyethoxy)ethoxy]-2-methyl-2-(propan-2-ylamino)butanoate
CID 104565270
ethyl 4-(2-hydroxyethylsulfanyl)-2-methyl-2-(propan-2-ylamino)pentanoate
CID 64712181
ethyl 2-methyl-2-(propan-2-ylamino)-4-(2,2,2-trifluoroethoxy)pentanoate
CID 64707611
ethyl 3-[1-(dimethylamino)propan-2-yl-ethylamino]-2-methyl-2-(propan-2-ylamino)propanoate
CID 103190949
ethyl 2-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-(propan-2-ylamino)butanoate
CID 115942549
ethyl 4-(2-cyclopropylethoxy)-2-methyl-2-(propan-2-ylamino)pentanoate
CID 106204438

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-ethoxyethyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)pentanoate?
The IUPAC name of ethyl 4-[2-ethoxyethyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)pentanoate (CID 81044614) is ethyl 4-[2-ethoxyethyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)pentanoate.
What is the SMILES notation for ethyl 4-[2-ethoxyethyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)pentanoate?
The canonical SMILES for ethyl 4-[2-ethoxyethyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)pentanoate is CCOCCN(C)C(C)CC(C)(NC(C)C)C(=O)OCC.
What is the InChIKey of ethyl 4-[2-ethoxyethyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)pentanoate?
The InChIKey is RJANIGIABVEEGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O3/c1-8-20-11-10-18(7)14(5)12-16(6,17-13(3)4)15(19)21-9-2/h13-14,17H,8-12H2,1-7H3.
What are the key properties of ethyl 4-[2-ethoxyethyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)pentanoate?
ethyl 4-[2-ethoxyethyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)pentanoate has a molecular weight of 302.46 g/mol, XLogP of 2.05, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-ethoxyethyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)pentanoate is sourced from PubChem (CID 81044614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).