N-[2-[2-[2-(4-aminobutanoylamino)ethoxy]ethoxy]ethyl]-2-methyl-2-(3-methylbutoxy)propanamide

C19H39N3O5 — CID 91189038

IUPACN-[2-[2-[2-(4-aminobutanoylamino)ethoxy]ethoxy]ethyl]-2-methyl-2-(3-methylbutoxy)propanamide
SMILESCC(C)CCOC(C)(C)C(=O)NCCOCCOCCNC(=O)CCCN
InChIInChI=1S/C19H39N3O5/c1-16(2)7-11-27-19(3,4)18(24)22-10-13-26-15-14-25-12-9-21-17(23)6-5-8-20/h16H,5-15,20H2,1-4H3,(H,21,23)(H,22,24)
InChIKeyJMFZVEQTZZFHJA-UHFFFAOYSA-N
MW389.54 g/mol
LogP0.83
Rot. Bonds17

About N-[2-[2-[2-(4-aminobutanoylamino)ethoxy]ethoxy]ethyl]-2-methyl-2-(3-methylbutoxy)propanamide

N-[2-[2-[2-(4-aminobutanoylamino)ethoxy]ethoxy]ethyl]-2-methyl-2-(3-methylbutoxy)propanamide (PubChem CID 91189038) has the molecular formula C19H39N3O5 and a molecular weight of 389.54 g/mol. Its IUPAC name is N-[2-[2-[2-(4-aminobutanoylamino)ethoxy]ethoxy]ethyl]-2-methyl-2-(3-methylbutoxy)propanamide.

Molecular Properties

Compound NameN-[2-[2-[2-(4-aminobutanoylamino)ethoxy]ethoxy]ethyl]-2-methyl-2-(3-methylbutoxy)propanamide
PubChem CID91189038
Molecular FormulaC19H39N3O5
Molecular Weight389.54 g/mol
Exact Mass389.29
IUPAC NameN-[2-[2-[2-(4-aminobutanoylamino)ethoxy]ethoxy]ethyl]-2-methyl-2-(3-methylbutoxy)propanamide
SMILESCC(C)CCOC(C)(C)C(=O)NCCOCCOCCNC(=O)CCCN
InChIInChI=1S/C19H39N3O5/c1-16(2)7-11-27-19(3,4)18(24)22-10-13-26-15-14-25-12-9-21-17(23)6-5-8-20/h16H,5-15,20H2,1-4H3,(H,21,23)(H,22,24)
InChIKeyJMFZVEQTZZFHJA-UHFFFAOYSA-N
XLogP0.83
TPSA111.91 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.54
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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 N-[2-[2-[2-(4-aminobutanoylamino)ethoxy]ethoxy]ethyl]-2-methyl-2-(3-methylbutoxy)propanamide?
The IUPAC name of N-[2-[2-[2-(4-aminobutanoylamino)ethoxy]ethoxy]ethyl]-2-methyl-2-(3-methylbutoxy)propanamide (CID 91189038) is N-[2-[2-[2-(4-aminobutanoylamino)ethoxy]ethoxy]ethyl]-2-methyl-2-(3-methylbutoxy)propanamide.
What is the SMILES notation for N-[2-[2-[2-(4-aminobutanoylamino)ethoxy]ethoxy]ethyl]-2-methyl-2-(3-methylbutoxy)propanamide?
The canonical SMILES for N-[2-[2-[2-(4-aminobutanoylamino)ethoxy]ethoxy]ethyl]-2-methyl-2-(3-methylbutoxy)propanamide is CC(C)CCOC(C)(C)C(=O)NCCOCCOCCNC(=O)CCCN.
What is the InChIKey of N-[2-[2-[2-(4-aminobutanoylamino)ethoxy]ethoxy]ethyl]-2-methyl-2-(3-methylbutoxy)propanamide?
The InChIKey is JMFZVEQTZZFHJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39N3O5/c1-16(2)7-11-27-19(3,4)18(24)22-10-13-26-15-14-25-12-9-21-17(23)6-5-8-20/h16H,5-15,20H2,1-4H3,(H,21,23)(H,22,24).
What are the key properties of N-[2-[2-[2-(4-aminobutanoylamino)ethoxy]ethoxy]ethyl]-2-methyl-2-(3-methylbutoxy)propanamide?
N-[2-[2-[2-(4-aminobutanoylamino)ethoxy]ethoxy]ethyl]-2-methyl-2-(3-methylbutoxy)propanamide has a molecular weight of 389.54 g/mol, XLogP of 0.83, 17 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-(4-aminobutanoylamino)ethoxy]ethoxy]ethyl]-2-methyl-2-(3-methylbutoxy)propanamide is sourced from PubChem (CID 91189038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).