ethane;N-methylhexan-1-amine;2-(2-oxoethoxy)-N-[4-[3-oxo-3-(2-oxoazetidin-1-yl)propyl]phenyl]acetamide;N-pentylacetamide

C32H56N4O6 — CID 143668150

IUPACethane;N-methylhexan-1-amine;2-(2-oxoethoxy)-N-[4-[3-oxo-3-(2-oxoazetidin-1-yl)propyl]phenyl]acetamide;N-pentylacetamide
SMILESCC.CCCCCCNC.CCCCCNC(C)=O.O=CCOCC(=O)Nc1ccc(CCC(=O)N2CCC2=O)cc1
InChIInChI=1S/C16H18N2O5.C7H15NO.C7H17N.C2H6/c19-9-10-23-11-14(20)17-13-4-1-12(2-5-13)3-6-15(21)18-8-7-16(18)22;1-3-4-5-6-8-7(2)9;1-3-4-5-6-7-8-2;1-2/h1-2,4-5,9H,3,6-8,10-11H2,(H,17,20);3-6H2,1-2H3,(H,8,9);8H,3-7H2,1-2H3;1-2H3
InChIKeyBWHOSIFUUZDNNS-UHFFFAOYSA-N
MW592.82 g/mol
LogP4.66
Rot. Bonds17

About ethane;N-methylhexan-1-amine;2-(2-oxoethoxy)-N-[4-[3-oxo-3-(2-oxoazetidin-1-yl)propyl]phenyl]acetamide;N-pentylacetamide

ethane;N-methylhexan-1-amine;2-(2-oxoethoxy)-N-[4-[3-oxo-3-(2-oxoazetidin-1-yl)propyl]phenyl]acetamide;N-pentylacetamide (PubChem CID 143668150) has the molecular formula C32H56N4O6 and a molecular weight of 592.82 g/mol. Its IUPAC name is ethane;N-methylhexan-1-amine;2-(2-oxoethoxy)-N-[4-[3-oxo-3-(2-oxoazetidin-1-yl)propyl]phenyl]acetamide;N-pentylacetamide.

Molecular Properties

Compound Nameethane;N-methylhexan-1-amine;2-(2-oxoethoxy)-N-[4-[3-oxo-3-(2-oxoazetidin-1-yl)propyl]phenyl]acetamide;N-pentylacetamide
PubChem CID143668150
Molecular FormulaC32H56N4O6
Molecular Weight592.82 g/mol
Exact Mass592.42
IUPAC Nameethane;N-methylhexan-1-amine;2-(2-oxoethoxy)-N-[4-[3-oxo-3-(2-oxoazetidin-1-yl)propyl]phenyl]acetamide;N-pentylacetamide
SMILESCC.CCCCCCNC.CCCCCNC(C)=O.O=CCOCC(=O)Nc1ccc(CCC(=O)N2CCC2=O)cc1
InChIInChI=1S/C16H18N2O5.C7H15NO.C7H17N.C2H6/c19-9-10-23-11-14(20)17-13-4-1-12(2-5-13)3-6-15(21)18-8-7-16(18)22;1-3-4-5-6-8-7(2)9;1-3-4-5-6-7-8-2;1-2/h1-2,4-5,9H,3,6-8,10-11H2,(H,17,20);3-6H2,1-2H3,(H,8,9);8H,3-7H2,1-2H3;1-2H3
InChIKeyBWHOSIFUUZDNNS-UHFFFAOYSA-N
XLogP4.66
TPSA133.91 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds17
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500592.82
LogP ≤ 54.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(4-methylphenyl)butyl]-2-[2-oxo-2-[4-[3-oxo-3-(2-oxoazetidin-1-yl)propyl]anilino]ethoxy]acetamide
CID 123319122
CID 161252204
CID 161252204
2-[2-oxo-2-[4-[6-oxo-6-(2-oxoazetidin-1-yl)hexyl]anilino]ethoxy]acetic acid
CID 71616719
2-[2-oxo-2-[4-[5-oxo-5-(2-oxoazetidin-1-yl)pentyl]anilino]ethoxy]acetic acid
CID 71616718
(2,5-dihydroxypyrrol-1-yl) 2-[2-oxo-2-[4-[3-oxo-3-(2-oxoazetidin-1-yl)propyl]anilino]ethoxy]acetate
CID 123379665
N-(3-aminopropyl)-2-[2-[N-(butylcarbamoyl)-4-[3-oxo-3-(2-oxoazetidin-1-yl)propyl]anilino]-2-oxoethoxy]acetamide
CID 71081998
2-methyl-N-[4-[3-oxo-3-(2-oxoazetidin-1-yl)propyl]phenyl]prop-2-enamide
CID 134421748
2-methyl-N-[4-[3-oxo-3-(2-oxoazetidin-1-yl)propyl]phenyl]propanamide
CID 134421789
N-[4-[3-oxo-3-(2-oxoazetidin-1-yl)propyl]phenyl]-6-(5-oxo-2H-pyrrol-1-yl)hexanamide
CID 163498903
N-[3-[2-oxo-2-[[4-[2-oxo-2-(2-oxoazetidin-1-yl)ethyl]phenyl]methylamino]ethoxy]propyl]butanamide
CID 59745823
6-acetamido-N-[[4-(butanoylamino)phenyl]methyl]hexanamide
CID 87018702
N-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]pentanamide
CID 110314338

Frequently Asked Questions

What is the IUPAC name of ethane;N-methylhexan-1-amine;2-(2-oxoethoxy)-N-[4-[3-oxo-3-(2-oxoazetidin-1-yl)propyl]phenyl]acetamide;N-pentylacetamide?
The IUPAC name of ethane;N-methylhexan-1-amine;2-(2-oxoethoxy)-N-[4-[3-oxo-3-(2-oxoazetidin-1-yl)propyl]phenyl]acetamide;N-pentylacetamide (CID 143668150) is ethane;N-methylhexan-1-amine;2-(2-oxoethoxy)-N-[4-[3-oxo-3-(2-oxoazetidin-1-yl)propyl]phenyl]acetamide;N-pentylacetamide.
What is the SMILES notation for ethane;N-methylhexan-1-amine;2-(2-oxoethoxy)-N-[4-[3-oxo-3-(2-oxoazetidin-1-yl)propyl]phenyl]acetamide;N-pentylacetamide?
The canonical SMILES for ethane;N-methylhexan-1-amine;2-(2-oxoethoxy)-N-[4-[3-oxo-3-(2-oxoazetidin-1-yl)propyl]phenyl]acetamide;N-pentylacetamide is CC.CCCCCCNC.CCCCCNC(C)=O.O=CCOCC(=O)Nc1ccc(CCC(=O)N2CCC2=O)cc1.
What is the InChIKey of ethane;N-methylhexan-1-amine;2-(2-oxoethoxy)-N-[4-[3-oxo-3-(2-oxoazetidin-1-yl)propyl]phenyl]acetamide;N-pentylacetamide?
The InChIKey is BWHOSIFUUZDNNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O5.C7H15NO.C7H17N.C2H6/c19-9-10-23-11-14(20)17-13-4-1-12(2-5-13)3-6-15(21)18-8-7-16(18)22;1-3-4-5-6-8-7(2)9;1-3-4-5-6-7-8-2;1-2/h1-2,4-5,9H,3,6-8,10-11H2,(H,17,20);3-6H2,1-2H3,(H,8,9);8H,3-7H2,1-2H3;1-2H3.
What are the key properties of ethane;N-methylhexan-1-amine;2-(2-oxoethoxy)-N-[4-[3-oxo-3-(2-oxoazetidin-1-yl)propyl]phenyl]acetamide;N-pentylacetamide?
ethane;N-methylhexan-1-amine;2-(2-oxoethoxy)-N-[4-[3-oxo-3-(2-oxoazetidin-1-yl)propyl]phenyl]acetamide;N-pentylacetamide has a molecular weight of 592.82 g/mol, XLogP of 4.66, 17 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methylhexan-1-amine;2-(2-oxoethoxy)-N-[4-[3-oxo-3-(2-oxoazetidin-1-yl)propyl]phenyl]acetamide;N-pentylacetamide is sourced from PubChem (CID 143668150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).