2-(butylamino)-N-(2-methoxyethyl)-N-[2-[2-methoxyethyl(2-oxopropyl)amino]-2-oxoethyl]acetamide

C17H33N3O5 — CID 170232279

IUPAC2-(butylamino)-N-(2-methoxyethyl)-N-[2-[2-methoxyethyl(2-oxopropyl)amino]-2-oxoethyl]acetamide
SMILESCCCCNCC(=O)N(CCOC)CC(=O)N(CCOC)CC(C)=O
InChIInChI=1S/C17H33N3O5/c1-5-6-7-18-12-16(22)20(9-11-25-4)14-17(23)19(8-10-24-3)13-15(2)21/h18H,5-14H2,1-4H3
InChIKeyQNMVWEJSLWYQDY-UHFFFAOYSA-N
MW359.47 g/mol
LogP-0.08
Rot. Bonds15

About 2-(butylamino)-N-(2-methoxyethyl)-N-[2-[2-methoxyethyl(2-oxopropyl)amino]-2-oxoethyl]acetamide

2-(butylamino)-N-(2-methoxyethyl)-N-[2-[2-methoxyethyl(2-oxopropyl)amino]-2-oxoethyl]acetamide (PubChem CID 170232279) has the molecular formula C17H33N3O5 and a molecular weight of 359.47 g/mol. Its IUPAC name is 2-(butylamino)-N-(2-methoxyethyl)-N-[2-[2-methoxyethyl(2-oxopropyl)amino]-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-(butylamino)-N-(2-methoxyethyl)-N-[2-[2-methoxyethyl(2-oxopropyl)amino]-2-oxoethyl]acetamide
PubChem CID170232279
Molecular FormulaC17H33N3O5
Molecular Weight359.47 g/mol
Exact Mass359.24
IUPAC Name2-(butylamino)-N-(2-methoxyethyl)-N-[2-[2-methoxyethyl(2-oxopropyl)amino]-2-oxoethyl]acetamide
SMILESCCCCNCC(=O)N(CCOC)CC(=O)N(CCOC)CC(C)=O
InChIInChI=1S/C17H33N3O5/c1-5-6-7-18-12-16(22)20(9-11-25-4)14-17(23)19(8-10-24-3)13-15(2)21/h18H,5-14H2,1-4H3
InChIKeyQNMVWEJSLWYQDY-UHFFFAOYSA-N
XLogP-0.08
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[[2-[[2-[(2-amino-2-oxoethyl)-dodecylamino]-2-oxoethyl]-dodecylamino]-2-oxoethyl]-dodecylamino]-2-oxoethyl]-N-dodecyl-2-(3-methoxypropylamino)acetamide
CID 171071740
N-[2-[[2-[[2-[(2-amino-2-oxoethyl)-dodecylamino]-2-oxoethyl]-dodecylamino]-2-oxoethyl]-dodecylamino]-2-oxoethyl]-N-dodecyl-2-(2-methoxyethylamino)acetamide
CID 171071718
2-(butylamino)-N-(2-methoxyethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 42767338
N-[2-[(2-amino-2-oxoethyl)-(2-methoxyethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)-2-[3-[4-(4-pentylphenyl)triazol-1-yl]propylamino]acetamide
CID 118055038
N-[2-[[2-[[2-[(2-amino-2-oxoethyl)-hexylamino]-2-oxoethyl]-decylamino]-2-oxoethyl]-hexylamino]-2-oxoethyl]-N-decyl-2-(2-hydroxyethylamino)acetamide
CID 176551991
ethyl 2-[2-methoxyethyl-[2-(prop-2-ynylamino)acetyl]amino]acetate
CID 79287392
N-[2-(dimethylamino)-2-oxoethyl]-3-(ethylamino)-N-(2-methoxyethyl)propanamide
CID 55121481
2-(butylamino)-N-(2-methoxyethyl)acetamide
CID 54815346
N,N-diethyl-2-[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]acetamide
CID 104562812
N-ethyl-N-(2-methoxyethyl)-2-(prop-2-ynylamino)acetamide
CID 79286437
N-[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)-(2-methoxyethyl)amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-(2-methoxyethyl)amino]-2-oxoethyl]-(3-methylbutyl)amino]-2-oxoethyl]-(2-methoxyethyl)amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-(2-methoxyethyl)amino]-2-oxoethyl]-(3-methylbutyl)amino]-2-oxoethyl]-(2-methoxyethyl)amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)-2-(3-methylbutylamino)acetamide
CID 59980076
methyl 2-[4-methoxybutanoyl(propyl)amino]acetate
CID 78927223

Frequently Asked Questions

What is the IUPAC name of 2-(butylamino)-N-(2-methoxyethyl)-N-[2-[2-methoxyethyl(2-oxopropyl)amino]-2-oxoethyl]acetamide?
The IUPAC name of 2-(butylamino)-N-(2-methoxyethyl)-N-[2-[2-methoxyethyl(2-oxopropyl)amino]-2-oxoethyl]acetamide (CID 170232279) is 2-(butylamino)-N-(2-methoxyethyl)-N-[2-[2-methoxyethyl(2-oxopropyl)amino]-2-oxoethyl]acetamide.
What is the SMILES notation for 2-(butylamino)-N-(2-methoxyethyl)-N-[2-[2-methoxyethyl(2-oxopropyl)amino]-2-oxoethyl]acetamide?
The canonical SMILES for 2-(butylamino)-N-(2-methoxyethyl)-N-[2-[2-methoxyethyl(2-oxopropyl)amino]-2-oxoethyl]acetamide is CCCCNCC(=O)N(CCOC)CC(=O)N(CCOC)CC(C)=O.
What is the InChIKey of 2-(butylamino)-N-(2-methoxyethyl)-N-[2-[2-methoxyethyl(2-oxopropyl)amino]-2-oxoethyl]acetamide?
The InChIKey is QNMVWEJSLWYQDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O5/c1-5-6-7-18-12-16(22)20(9-11-25-4)14-17(23)19(8-10-24-3)13-15(2)21/h18H,5-14H2,1-4H3.
What are the key properties of 2-(butylamino)-N-(2-methoxyethyl)-N-[2-[2-methoxyethyl(2-oxopropyl)amino]-2-oxoethyl]acetamide?
2-(butylamino)-N-(2-methoxyethyl)-N-[2-[2-methoxyethyl(2-oxopropyl)amino]-2-oxoethyl]acetamide has a molecular weight of 359.47 g/mol, XLogP of -0.08, 15 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butylamino)-N-(2-methoxyethyl)-N-[2-[2-methoxyethyl(2-oxopropyl)amino]-2-oxoethyl]acetamide is sourced from PubChem (CID 170232279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).