(2R)-2-[[2-(2-butoxyethoxy)acetyl]amino]-7-methyloctanamide

C17H34N2O4 — CID 153389526

IUPAC(2R)-2-[[2-(2-butoxyethoxy)acetyl]amino]-7-methyloctanamide
SMILESCCCCOCCOCC(=O)N[C@H](CCCCC(C)C)C(N)=O
InChIInChI=1S/C17H34N2O4/c1-4-5-10-22-11-12-23-13-16(20)19-15(17(18)21)9-7-6-8-14(2)3/h14-15H,4-13H2,1-3H3,(H2,18,21)(H,19,20)/t15-/m1/s1
InChIKeyRSYTYEQRVHJMER-OAHLLOKOSA-N
MW330.47 g/mol
LogP2.01
Rot. Bonds15

About (2R)-2-[[2-(2-butoxyethoxy)acetyl]amino]-7-methyloctanamide

(2R)-2-[[2-(2-butoxyethoxy)acetyl]amino]-7-methyloctanamide (PubChem CID 153389526) has the molecular formula C17H34N2O4 and a molecular weight of 330.47 g/mol. Its IUPAC name is (2R)-2-[[2-(2-butoxyethoxy)acetyl]amino]-7-methyloctanamide.

Molecular Properties

Compound Name(2R)-2-[[2-(2-butoxyethoxy)acetyl]amino]-7-methyloctanamide
PubChem CID153389526
Molecular FormulaC17H34N2O4
Molecular Weight330.47 g/mol
Exact Mass330.25
IUPAC Name(2R)-2-[[2-(2-butoxyethoxy)acetyl]amino]-7-methyloctanamide
SMILESCCCCOCCOCC(=O)N[C@H](CCCCC(C)C)C(N)=O
InChIInChI=1S/C17H34N2O4/c1-4-5-10-22-11-12-23-13-16(20)19-15(17(18)21)9-7-6-8-14(2)3/h14-15H,4-13H2,1-3H3,(H2,18,21)(H,19,20)/t15-/m1/s1
InChIKeyRSYTYEQRVHJMER-OAHLLOKOSA-N
XLogP2.01
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 52.01
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

2-[[2-(2-propoxyethoxy)acetyl]amino]heptanamide
CID 147884881
2-(2-butoxyethoxy)-N-(4-methylpentyl)acetamide
CID 148767306
N-butyl-2-[2-(4-methylpentoxy)ethoxy]acetamide
CID 156795089
2-[2-[2-(2-hexoxyethoxy)ethoxy]ethoxy]-N-(4-methylpentyl)acetamide
CID 171838407
N-[(5S)-6-amino-5-[[2-[2-[5-(2-butoxyethoxy)-4-oxopentoxy]ethoxy]acetyl]amino]-6-oxohexyl]-4-(propylamino)benzamide
CID 159512413
5-[[2-[[2-[[6-amino-6-oxo-5-[(2-propoxyacetyl)amino]hexyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-(butanoylamino)-5-oxopentanoic acid
CID 170149544
N-[(5S)-6-amino-5-[[2-[2-[2-[[2-[2-[2-(methylamino)ethoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]acetyl]amino]-6-oxohexyl]-4-(propylamino)benzamide
CID 70919918
2-[(2-butoxyacetyl)amino]-4-methoxybutanoic acid
CID 120702050
2-[[2-[2-[2-[[2-[2-(2-hydrazinylethoxy)ethoxy]acetyl]amino]ethoxy]ethoxy]acetyl]amino]heptanoic acid
CID 123976668
[(5S)-6-methoxy-5-[[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]acetyl]amino]-6-oxohexyl]azanium
CID 140598484
N-[1-amino-1-oxo-6-[3-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]propanoylamino]hexan-2-yl]dodecanamide
CID 87060981
6-[(2-aminoacetyl)amino]-2-[[2-(2-propoxyethoxy)acetyl]amino]hexanoic acid
CID 139325563

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-(2-butoxyethoxy)acetyl]amino]-7-methyloctanamide?
The IUPAC name of (2R)-2-[[2-(2-butoxyethoxy)acetyl]amino]-7-methyloctanamide (CID 153389526) is (2R)-2-[[2-(2-butoxyethoxy)acetyl]amino]-7-methyloctanamide.
What is the SMILES notation for (2R)-2-[[2-(2-butoxyethoxy)acetyl]amino]-7-methyloctanamide?
The canonical SMILES for (2R)-2-[[2-(2-butoxyethoxy)acetyl]amino]-7-methyloctanamide is CCCCOCCOCC(=O)N[C@H](CCCCC(C)C)C(N)=O.
What is the InChIKey of (2R)-2-[[2-(2-butoxyethoxy)acetyl]amino]-7-methyloctanamide?
The InChIKey is RSYTYEQRVHJMER-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H34N2O4/c1-4-5-10-22-11-12-23-13-16(20)19-15(17(18)21)9-7-6-8-14(2)3/h14-15H,4-13H2,1-3H3,(H2,18,21)(H,19,20)/t15-/m1/s1.
What are the key properties of (2R)-2-[[2-(2-butoxyethoxy)acetyl]amino]-7-methyloctanamide?
(2R)-2-[[2-(2-butoxyethoxy)acetyl]amino]-7-methyloctanamide has a molecular weight of 330.47 g/mol, XLogP of 2.01, 15 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-(2-butoxyethoxy)acetyl]amino]-7-methyloctanamide is sourced from PubChem (CID 153389526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).