3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]-N-(3-methylbutan-2-yl)propanamide;ethane;2-(ethylamino)-N-[4-(methoxymethyl)phenyl]acetamide;methanol

C29H58N4O7 — CID 171813161

IUPAC3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]-N-(3-methylbutan-2-yl)propanamide;ethane;2-(ethylamino)-N-[4-(methoxymethyl)phenyl]acetamide;methanol
SMILESCC.CC(C)C(C)NC(=O)CCOCCOCCOCCN.CCNCC(=O)Nc1ccc(COC)cc1.CO
InChIInChI=1S/C14H30N2O4.C12H18N2O2.C2H6.CH4O/c1-12(2)13(3)16-14(17)4-6-18-8-10-20-11-9-19-7-5-15;1-3-13-8-12(15)14-11-6-4-10(5-7-11)9-16-2;2*1-2/h12-13H,4-11,15H2,1-3H3,(H,16,17);4-7,13H,3,8-9H2,1-2H3,(H,14,15);1-2H3;2H,1H3
InChIKeyXPAHNUPTWDEKDV-UHFFFAOYSA-N
MW574.80 g/mol
LogP2.56
Rot. Bonds19

About 3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]-N-(3-methylbutan-2-yl)propanamide;ethane;2-(ethylamino)-N-[4-(methoxymethyl)phenyl]acetamide;methanol

3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]-N-(3-methylbutan-2-yl)propanamide;ethane;2-(ethylamino)-N-[4-(methoxymethyl)phenyl]acetamide;methanol (PubChem CID 171813161) has the molecular formula C29H58N4O7 and a molecular weight of 574.80 g/mol. Its IUPAC name is 3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]-N-(3-methylbutan-2-yl)propanamide;ethane;2-(ethylamino)-N-[4-(methoxymethyl)phenyl]acetamide;methanol.

Molecular Properties

Compound Name3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]-N-(3-methylbutan-2-yl)propanamide;ethane;2-(ethylamino)-N-[4-(methoxymethyl)phenyl]acetamide;methanol
PubChem CID171813161
Molecular FormulaC29H58N4O7
Molecular Weight574.80 g/mol
Exact Mass574.43
IUPAC Name3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]-N-(3-methylbutan-2-yl)propanamide;ethane;2-(ethylamino)-N-[4-(methoxymethyl)phenyl]acetamide;methanol
SMILESCC.CC(C)C(C)NC(=O)CCOCCOCCOCCN.CCNCC(=O)Nc1ccc(COC)cc1.CO
InChIInChI=1S/C14H30N2O4.C12H18N2O2.C2H6.CH4O/c1-12(2)13(3)16-14(17)4-6-18-8-10-20-11-9-19-7-5-15;1-3-13-8-12(15)14-11-6-4-10(5-7-11)9-16-2;2*1-2/h12-13H,4-11,15H2,1-3H3,(H,16,17);4-7,13H,3,8-9H2,1-2H3,(H,14,15);1-2H3;2H,1H3
InChIKeyXPAHNUPTWDEKDV-UHFFFAOYSA-N
XLogP2.56
TPSA153.40 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds19
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500574.80
LogP ≤ 52.56
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(aminomethyl)phenyl]-3-(2-butoxyethoxy)propanamide
CID 28996025
3-(4-oxopentoxy)-N-[4-(propan-2-yloxymethyl)phenyl]propanamide
CID 159274312
[4-[[2-[[2-[3-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]propanoylamino]-3-methylbutanoyl]amino]-5-(carbamoylamino)pentanoyl]amino]phenyl]methyl 2-methylpropanoate
CID 171658555
(2S)-5-amino-2-[[(2S)-2-[3-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-3-methylbutanoyl]amino]-N-[4-[[methyl-[2-(methylamino)ethyl]amino]oxymethyl]phenyl]pentanamide
CID 118268096
[4-[[6-amino-2-[[2-[3-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]propanoylamino]acetyl]amino]hexanoyl]amino]phenyl]methyl 2-methylpropanoate;ethane;propane
CID 178057803
3-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-propan-2-ylpropanamide
CID 177120957
[4-[[2-[[2-[3-[2-[2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]ethoxy]ethoxy]propanoylamino]-3-methylbutanoyl]amino]acetyl]amino]phenyl]methyl acetate;ethane
CID 177358892
3-(2-aminoethoxy)-N-(1-ethyl-6-oxo-3-pyridinyl)propanamide
CID 112738988
2-(ethylamino)-N-(4-methoxyphenyl)acetamide
CID 2113294
(2,5-dioxopyrrolidin-1-yl) [4-[(2-formamidoacetyl)amino]phenyl]methyl carbonate;2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
CID 165397687
ethyl N-[4-[[2-(2-aminoethoxy)acetyl]amino]phenyl]carbamate
CID 79472872
N-(4-butoxyphenyl)-2-(ethylamino)acetamide
CID 54821038

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]-N-(3-methylbutan-2-yl)propanamide;ethane;2-(ethylamino)-N-[4-(methoxymethyl)phenyl]acetamide;methanol?
The IUPAC name of 3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]-N-(3-methylbutan-2-yl)propanamide;ethane;2-(ethylamino)-N-[4-(methoxymethyl)phenyl]acetamide;methanol (CID 171813161) is 3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]-N-(3-methylbutan-2-yl)propanamide;ethane;2-(ethylamino)-N-[4-(methoxymethyl)phenyl]acetamide;methanol.
What is the SMILES notation for 3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]-N-(3-methylbutan-2-yl)propanamide;ethane;2-(ethylamino)-N-[4-(methoxymethyl)phenyl]acetamide;methanol?
The canonical SMILES for 3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]-N-(3-methylbutan-2-yl)propanamide;ethane;2-(ethylamino)-N-[4-(methoxymethyl)phenyl]acetamide;methanol is CC.CC(C)C(C)NC(=O)CCOCCOCCOCCN.CCNCC(=O)Nc1ccc(COC)cc1.CO.
What is the InChIKey of 3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]-N-(3-methylbutan-2-yl)propanamide;ethane;2-(ethylamino)-N-[4-(methoxymethyl)phenyl]acetamide;methanol?
The InChIKey is XPAHNUPTWDEKDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O4.C12H18N2O2.C2H6.CH4O/c1-12(2)13(3)16-14(17)4-6-18-8-10-20-11-9-19-7-5-15;1-3-13-8-12(15)14-11-6-4-10(5-7-11)9-16-2;2*1-2/h12-13H,4-11,15H2,1-3H3,(H,16,17);4-7,13H,3,8-9H2,1-2H3,(H,14,15);1-2H3;2H,1H3.
What are the key properties of 3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]-N-(3-methylbutan-2-yl)propanamide;ethane;2-(ethylamino)-N-[4-(methoxymethyl)phenyl]acetamide;methanol?
3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]-N-(3-methylbutan-2-yl)propanamide;ethane;2-(ethylamino)-N-[4-(methoxymethyl)phenyl]acetamide;methanol has a molecular weight of 574.80 g/mol, XLogP of 2.56, 19 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]-N-(3-methylbutan-2-yl)propanamide;ethane;2-(ethylamino)-N-[4-(methoxymethyl)phenyl]acetamide;methanol is sourced from PubChem (CID 171813161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).