6-aminooxy-N-[2-[[2-[(3-methoxy-5-methylheptan-4-yl)-methylamino]-2-oxoethyl]amino]-4-methylpent-1-en-3-yl]-N-methylhexanamide

C25H50N4O4 — CID 139469991

IUPAC6-aminooxy-N-[2-[[2-[(3-methoxy-5-methylheptan-4-yl)-methylamino]-2-oxoethyl]amino]-4-methylpent-1-en-3-yl]-N-methylhexanamide
SMILESC=C(NCC(=O)N(C)C(C(C)CC)C(CC)OC)C(C(C)C)N(C)C(=O)CCCCCON
InChIInChI=1S/C25H50N4O4/c1-10-19(5)25(21(11-2)32-9)29(8)23(31)17-27-20(6)24(18(3)4)28(7)22(30)15-13-12-14-16-33-26/h18-19,21,24-25,27H,6,10-17,26H2,1-5,7-9H3
InChIKeyJPKJAMKFPWSNBG-UHFFFAOYSA-N
MW470.70 g/mol
LogP3.32
Rot. Bonds18

About 6-aminooxy-N-[2-[[2-[(3-methoxy-5-methylheptan-4-yl)-methylamino]-2-oxoethyl]amino]-4-methylpent-1-en-3-yl]-N-methylhexanamide

6-aminooxy-N-[2-[[2-[(3-methoxy-5-methylheptan-4-yl)-methylamino]-2-oxoethyl]amino]-4-methylpent-1-en-3-yl]-N-methylhexanamide (PubChem CID 139469991) has the molecular formula C25H50N4O4 and a molecular weight of 470.70 g/mol. Its IUPAC name is 6-aminooxy-N-[2-[[2-[(3-methoxy-5-methylheptan-4-yl)-methylamino]-2-oxoethyl]amino]-4-methylpent-1-en-3-yl]-N-methylhexanamide.

Molecular Properties

Compound Name6-aminooxy-N-[2-[[2-[(3-methoxy-5-methylheptan-4-yl)-methylamino]-2-oxoethyl]amino]-4-methylpent-1-en-3-yl]-N-methylhexanamide
PubChem CID139469991
Molecular FormulaC25H50N4O4
Molecular Weight470.70 g/mol
Exact Mass470.38
IUPAC Name6-aminooxy-N-[2-[[2-[(3-methoxy-5-methylheptan-4-yl)-methylamino]-2-oxoethyl]amino]-4-methylpent-1-en-3-yl]-N-methylhexanamide
SMILESC=C(NCC(=O)N(C)C(C(C)CC)C(CC)OC)C(C(C)C)N(C)C(=O)CCCCCON
InChIInChI=1S/C25H50N4O4/c1-10-19(5)25(21(11-2)32-9)29(8)23(31)17-27-20(6)24(18(3)4)28(7)22(30)15-13-12-14-16-33-26/h18-19,21,24-25,27H,6,10-17,26H2,1-5,7-9H3
InChIKeyJPKJAMKFPWSNBG-UHFFFAOYSA-N
XLogP3.32
TPSA97.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds18
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.70
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 6-aminooxy-N-[2-[[2-[(3-methoxy-5-methylheptan-4-yl)-methylamino]-2-oxoethyl]amino]-4-methylpent-1-en-3-yl]-N-methylhexanamide with MolForge

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Related Compounds

4-[[2-[[2-[6-(2,5-dioxopyrrol-1-yl)hexanoyl-methylamino]-3-methylbutanoyl]amino]acetyl]-methylamino]-3-methoxy-5-methylheptanoic acid
CID 166830086
2-amino-N-[2-[(3-methoxy-5-methylheptan-4-yl)-methylamino]-2-oxoethyl]-2-methylpropanamide
CID 166824179
2-[[[(4S)-4,5-dimethylhexan-3-yl]-methylcarbamoyl]amino]-N-(3-methoxy-5-methylheptan-4-yl)-N-methylacetamide
CID 144871501
2-[[3-aminopropyl(propan-2-yl)carbamoyl]amino]-N-(3-methoxy-5-methylheptan-4-yl)-N-methylacetamide
CID 144975458
2-(dimethylamino)-N-[2-[[(3R,5S)-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylamino]-2-oxoethyl]-3-methylbutanamide
CID 146429060
2-[(3-aminophenyl)methyl-methylamino]-N-[2-[(3-methoxy-5-methylheptan-4-yl)-methylamino]-2-oxoethyl]-3-methylbutanamide
CID 130462414
N-[(4S)-4,5-dimethylhexan-3-yl]-N-[[2-[(3-methoxy-5-methylheptan-4-yl)-methylamino]-2-oxoethyl]carbamoyl]-6-[methyl-[(Z)-4-oxobut-2-enoyl]amino]hexanamide
CID 155417979
N-[1-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]-3-methyl-1-oxobutan-2-yl]-N-methyltridecanamide
CID 23503512
N-[2-[[(3R,5S)-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylamino]-2-oxoethyl]-3-methyl-2-(methylamino)butanamide
CID 170042358
ethyl N-[(3S,6S)-6-[[(3R,4S,5S)-3-methoxy-5-methylheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-N-methylcarbamate
CID 58490991
N-[(5S)-3-methoxy-5-methylheptan-4-yl]-N-methyl-2-(methylamino)propanamide
CID 59974258
2-[[(2R,3R)-3-[(2S)-1-[(3R,4S,5S)-4-[[2-[[2-[5-(2,5-dioxopyrrol-1-yl)pentanoyl-methylamino]-3-methylbutanoyl]amino]acetyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-3-methoxy-2-methylpropanoyl]amino]acetic acid
CID 134553480

Frequently Asked Questions

What is the IUPAC name of 6-aminooxy-N-[2-[[2-[(3-methoxy-5-methylheptan-4-yl)-methylamino]-2-oxoethyl]amino]-4-methylpent-1-en-3-yl]-N-methylhexanamide?
The IUPAC name of 6-aminooxy-N-[2-[[2-[(3-methoxy-5-methylheptan-4-yl)-methylamino]-2-oxoethyl]amino]-4-methylpent-1-en-3-yl]-N-methylhexanamide (CID 139469991) is 6-aminooxy-N-[2-[[2-[(3-methoxy-5-methylheptan-4-yl)-methylamino]-2-oxoethyl]amino]-4-methylpent-1-en-3-yl]-N-methylhexanamide.
What is the SMILES notation for 6-aminooxy-N-[2-[[2-[(3-methoxy-5-methylheptan-4-yl)-methylamino]-2-oxoethyl]amino]-4-methylpent-1-en-3-yl]-N-methylhexanamide?
The canonical SMILES for 6-aminooxy-N-[2-[[2-[(3-methoxy-5-methylheptan-4-yl)-methylamino]-2-oxoethyl]amino]-4-methylpent-1-en-3-yl]-N-methylhexanamide is C=C(NCC(=O)N(C)C(C(C)CC)C(CC)OC)C(C(C)C)N(C)C(=O)CCCCCON.
What is the InChIKey of 6-aminooxy-N-[2-[[2-[(3-methoxy-5-methylheptan-4-yl)-methylamino]-2-oxoethyl]amino]-4-methylpent-1-en-3-yl]-N-methylhexanamide?
The InChIKey is JPKJAMKFPWSNBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H50N4O4/c1-10-19(5)25(21(11-2)32-9)29(8)23(31)17-27-20(6)24(18(3)4)28(7)22(30)15-13-12-14-16-33-26/h18-19,21,24-25,27H,6,10-17,26H2,1-5,7-9H3.
What are the key properties of 6-aminooxy-N-[2-[[2-[(3-methoxy-5-methylheptan-4-yl)-methylamino]-2-oxoethyl]amino]-4-methylpent-1-en-3-yl]-N-methylhexanamide?
6-aminooxy-N-[2-[[2-[(3-methoxy-5-methylheptan-4-yl)-methylamino]-2-oxoethyl]amino]-4-methylpent-1-en-3-yl]-N-methylhexanamide has a molecular weight of 470.70 g/mol, XLogP of 3.32, 18 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-aminooxy-N-[2-[[2-[(3-methoxy-5-methylheptan-4-yl)-methylamino]-2-oxoethyl]amino]-4-methylpent-1-en-3-yl]-N-methylhexanamide is sourced from PubChem (CID 139469991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).