ethane;N-[3,3,6,6-tetramethyl-9-(prop-1-en-2-ylamino)nonyl]acetamide

C20H42N2O — CID 143727438

IUPACethane;N-[3,3,6,6-tetramethyl-9-(prop-1-en-2-ylamino)nonyl]acetamide
SMILESC=C(C)NCCCC(C)(C)CCC(C)(C)CCNC(C)=O.CC
InChIInChI=1S/C18H36N2O.C2H6/c1-15(2)19-13-8-9-17(4,5)10-11-18(6,7)12-14-20-16(3)21;1-2/h19H,1,8-14H2,2-7H3,(H,20,21);1-2H3
InChIKeyKOCNKRFQKDYWJE-UHFFFAOYSA-N
MW326.57 g/mol
LogP5.27
Rot. Bonds11

About ethane;N-[3,3,6,6-tetramethyl-9-(prop-1-en-2-ylamino)nonyl]acetamide

ethane;N-[3,3,6,6-tetramethyl-9-(prop-1-en-2-ylamino)nonyl]acetamide (PubChem CID 143727438) has the molecular formula C20H42N2O and a molecular weight of 326.57 g/mol. Its IUPAC name is ethane;N-[3,3,6,6-tetramethyl-9-(prop-1-en-2-ylamino)nonyl]acetamide.

Molecular Properties

Compound Nameethane;N-[3,3,6,6-tetramethyl-9-(prop-1-en-2-ylamino)nonyl]acetamide
PubChem CID143727438
Molecular FormulaC20H42N2O
Molecular Weight326.57 g/mol
Exact Mass326.33
IUPAC Nameethane;N-[3,3,6,6-tetramethyl-9-(prop-1-en-2-ylamino)nonyl]acetamide
SMILESC=C(C)NCCCC(C)(C)CCC(C)(C)CCNC(C)=O.CC
InChIInChI=1S/C18H36N2O.C2H6/c1-15(2)19-13-8-9-17(4,5)10-11-18(6,7)12-14-20-16(3)21;1-2/h19H,1,8-14H2,2-7H3,(H,20,21);1-2H3
InChIKeyKOCNKRFQKDYWJE-UHFFFAOYSA-N
XLogP5.27
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.57
LogP ≤ 55.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;N-[3,3,6,6-tetramethyl-9-(prop-1-en-2-ylamino)nonyl]acetamide?
The IUPAC name of ethane;N-[3,3,6,6-tetramethyl-9-(prop-1-en-2-ylamino)nonyl]acetamide (CID 143727438) is ethane;N-[3,3,6,6-tetramethyl-9-(prop-1-en-2-ylamino)nonyl]acetamide.
What is the SMILES notation for ethane;N-[3,3,6,6-tetramethyl-9-(prop-1-en-2-ylamino)nonyl]acetamide?
The canonical SMILES for ethane;N-[3,3,6,6-tetramethyl-9-(prop-1-en-2-ylamino)nonyl]acetamide is C=C(C)NCCCC(C)(C)CCC(C)(C)CCNC(C)=O.CC.
What is the InChIKey of ethane;N-[3,3,6,6-tetramethyl-9-(prop-1-en-2-ylamino)nonyl]acetamide?
The InChIKey is KOCNKRFQKDYWJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O.C2H6/c1-15(2)19-13-8-9-17(4,5)10-11-18(6,7)12-14-20-16(3)21;1-2/h19H,1,8-14H2,2-7H3,(H,20,21);1-2H3.
What are the key properties of ethane;N-[3,3,6,6-tetramethyl-9-(prop-1-en-2-ylamino)nonyl]acetamide?
ethane;N-[3,3,6,6-tetramethyl-9-(prop-1-en-2-ylamino)nonyl]acetamide has a molecular weight of 326.57 g/mol, XLogP of 5.27, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[3,3,6,6-tetramethyl-9-(prop-1-en-2-ylamino)nonyl]acetamide is sourced from PubChem (CID 143727438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).