(2R)-N-[2-[8-(2-formamidoethoxy)oct-4-ynoxy]ethyl]-2,6-dimethylheptanamide

C22H40N2O4 — CID 177054270

IUPAC(2R)-N-[2-[8-(2-formamidoethoxy)oct-4-ynoxy]ethyl]-2,6-dimethylheptanamide
SMILESCC(C)CCC[C@@H](C)C(=O)NCCOCCCC#CCCCOCCNC=O
InChIInChI=1S/C22H40N2O4/c1-20(2)11-10-12-21(3)22(26)24-14-18-28-16-9-7-5-4-6-8-15-27-17-13-23-19-25/h19-21H,6-18H2,1-3H3,(H,23,25)(H,24,26)/t21-/m1/s1
InChIKeyFUSLLYIYCOSEKN-OAQYLSRUSA-N
MW396.57 g/mol
LogP2.91
Rot. Bonds18

About (2R)-N-[2-[8-(2-formamidoethoxy)oct-4-ynoxy]ethyl]-2,6-dimethylheptanamide

(2R)-N-[2-[8-(2-formamidoethoxy)oct-4-ynoxy]ethyl]-2,6-dimethylheptanamide (PubChem CID 177054270) has the molecular formula C22H40N2O4 and a molecular weight of 396.57 g/mol. Its IUPAC name is (2R)-N-[2-[8-(2-formamidoethoxy)oct-4-ynoxy]ethyl]-2,6-dimethylheptanamide.

Molecular Properties

Compound Name(2R)-N-[2-[8-(2-formamidoethoxy)oct-4-ynoxy]ethyl]-2,6-dimethylheptanamide
PubChem CID177054270
Molecular FormulaC22H40N2O4
Molecular Weight396.57 g/mol
Exact Mass396.30
IUPAC Name(2R)-N-[2-[8-(2-formamidoethoxy)oct-4-ynoxy]ethyl]-2,6-dimethylheptanamide
SMILESCC(C)CCC[C@@H](C)C(=O)NCCOCCCC#CCCCOCCNC=O
InChIInChI=1S/C22H40N2O4/c1-20(2)11-10-12-21(3)22(26)24-14-18-28-16-9-7-5-4-6-8-15-27-17-13-23-19-25/h19-21H,6-18H2,1-3H3,(H,23,25)(H,24,26)/t21-/m1/s1
InChIKeyFUSLLYIYCOSEKN-OAQYLSRUSA-N
XLogP2.91
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.57
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-[2-(4-methylpentoxy)ethyl]butanamide
CID 156530460
N-[3-(4-methylpentoxy)propyl]formamide
CID 167156422
2-methyl-N-[2-[2-(4-methylpentoxy)ethoxy]ethyl]propanamide
CID 138727288
N-[2-(4-methylpentoxy)ethyl]acetamide
CID 138727622
N-[2-[2-(4-methylpentoxy)ethoxy]ethyl]acetamide
CID 153390509
ethane;N-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]formamide;2-methylpropane
CID 155582612
N-[2-[2-[2-[2-(2-formamidoethoxy)ethoxy]ethoxy]ethoxy]ethyl]acetamide
CID 145233036
2-methyl-N-(2-pentoxyethyl)butanamide
CID 170952196
2,4,5-trimethyl-N-[2-(3-methylbutoxy)ethyl]hexanamide
CID 139403486
N-(6-formamidohexyl)-2-methylbutanamide
CID 143259123
5-amino-2-methyl-N-(7-methyloctyl)pentanamide
CID 104684762
N-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]formamide
CID 145058844

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-[8-(2-formamidoethoxy)oct-4-ynoxy]ethyl]-2,6-dimethylheptanamide?
The IUPAC name of (2R)-N-[2-[8-(2-formamidoethoxy)oct-4-ynoxy]ethyl]-2,6-dimethylheptanamide (CID 177054270) is (2R)-N-[2-[8-(2-formamidoethoxy)oct-4-ynoxy]ethyl]-2,6-dimethylheptanamide.
What is the SMILES notation for (2R)-N-[2-[8-(2-formamidoethoxy)oct-4-ynoxy]ethyl]-2,6-dimethylheptanamide?
The canonical SMILES for (2R)-N-[2-[8-(2-formamidoethoxy)oct-4-ynoxy]ethyl]-2,6-dimethylheptanamide is CC(C)CCC[C@@H](C)C(=O)NCCOCCCC#CCCCOCCNC=O.
What is the InChIKey of (2R)-N-[2-[8-(2-formamidoethoxy)oct-4-ynoxy]ethyl]-2,6-dimethylheptanamide?
The InChIKey is FUSLLYIYCOSEKN-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H40N2O4/c1-20(2)11-10-12-21(3)22(26)24-14-18-28-16-9-7-5-4-6-8-15-27-17-13-23-19-25/h19-21H,6-18H2,1-3H3,(H,23,25)(H,24,26)/t21-/m1/s1.
What are the key properties of (2R)-N-[2-[8-(2-formamidoethoxy)oct-4-ynoxy]ethyl]-2,6-dimethylheptanamide?
(2R)-N-[2-[8-(2-formamidoethoxy)oct-4-ynoxy]ethyl]-2,6-dimethylheptanamide has a molecular weight of 396.57 g/mol, XLogP of 2.91, 18 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-[8-(2-formamidoethoxy)oct-4-ynoxy]ethyl]-2,6-dimethylheptanamide is sourced from PubChem (CID 177054270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).