3-[3-(3-formamido-3-methylbutoxy)-3-methylbutoxy]-N-methylpropanamide

C15H30N2O4 — CID 167281122

IUPAC3-[3-(3-formamido-3-methylbutoxy)-3-methylbutoxy]-N-methylpropanamide
SMILESCNC(=O)CCOCCC(C)(C)OCCC(C)(C)NC=O
InChIInChI=1S/C15H30N2O4/c1-14(2,17-12-18)7-11-21-15(3,4)8-10-20-9-6-13(19)16-5/h12H,6-11H2,1-5H3,(H,16,19)(H,17,18)
InChIKeyGXAUQBOECXMEKD-UHFFFAOYSA-N
MW302.42 g/mol
LogP1.24
Rot. Bonds12

About 3-[3-(3-formamido-3-methylbutoxy)-3-methylbutoxy]-N-methylpropanamide

3-[3-(3-formamido-3-methylbutoxy)-3-methylbutoxy]-N-methylpropanamide (PubChem CID 167281122) has the molecular formula C15H30N2O4 and a molecular weight of 302.42 g/mol. Its IUPAC name is 3-[3-(3-formamido-3-methylbutoxy)-3-methylbutoxy]-N-methylpropanamide.

Molecular Properties

Compound Name3-[3-(3-formamido-3-methylbutoxy)-3-methylbutoxy]-N-methylpropanamide
PubChem CID167281122
Molecular FormulaC15H30N2O4
Molecular Weight302.42 g/mol
Exact Mass302.22
IUPAC Name3-[3-(3-formamido-3-methylbutoxy)-3-methylbutoxy]-N-methylpropanamide
SMILESCNC(=O)CCOCCC(C)(C)OCCC(C)(C)NC=O
InChIInChI=1S/C15H30N2O4/c1-14(2,17-12-18)7-11-21-15(3,4)8-10-20-9-6-13(19)16-5/h12H,6-11H2,1-5H3,(H,16,19)(H,17,18)
InChIKeyGXAUQBOECXMEKD-UHFFFAOYSA-N
XLogP1.24
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 51.24
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'}

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-formamido-3-methylbutoxy)-3-methylbutoxy]-N-methylpropanamide?
The IUPAC name of 3-[3-(3-formamido-3-methylbutoxy)-3-methylbutoxy]-N-methylpropanamide (CID 167281122) is 3-[3-(3-formamido-3-methylbutoxy)-3-methylbutoxy]-N-methylpropanamide.
What is the SMILES notation for 3-[3-(3-formamido-3-methylbutoxy)-3-methylbutoxy]-N-methylpropanamide?
The canonical SMILES for 3-[3-(3-formamido-3-methylbutoxy)-3-methylbutoxy]-N-methylpropanamide is CNC(=O)CCOCCC(C)(C)OCCC(C)(C)NC=O.
What is the InChIKey of 3-[3-(3-formamido-3-methylbutoxy)-3-methylbutoxy]-N-methylpropanamide?
The InChIKey is GXAUQBOECXMEKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O4/c1-14(2,17-12-18)7-11-21-15(3,4)8-10-20-9-6-13(19)16-5/h12H,6-11H2,1-5H3,(H,16,19)(H,17,18).
What are the key properties of 3-[3-(3-formamido-3-methylbutoxy)-3-methylbutoxy]-N-methylpropanamide?
3-[3-(3-formamido-3-methylbutoxy)-3-methylbutoxy]-N-methylpropanamide has a molecular weight of 302.42 g/mol, XLogP of 1.24, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-formamido-3-methylbutoxy)-3-methylbutoxy]-N-methylpropanamide is sourced from PubChem (CID 167281122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).