2-ethoxy-3-methyl-N-propan-2-ylbutanamide

C10H21NO2 — CID 21366324

IUPAC2-ethoxy-3-methyl-N-propan-2-ylbutanamide
SMILESCCOC(C(=O)NC(C)C)C(C)C
InChIInChI=1S/C10H21NO2/c1-6-13-9(7(2)3)10(12)11-8(4)5/h7-9H,6H2,1-5H3,(H,11,12)
InChIKeyRLXCNIGKGPKPMQ-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.57
Rot. Bonds5

About 2-ethoxy-3-methyl-N-propan-2-ylbutanamide

2-ethoxy-3-methyl-N-propan-2-ylbutanamide (PubChem CID 21366324) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 2-ethoxy-3-methyl-N-propan-2-ylbutanamide.

Molecular Properties

Compound Name2-ethoxy-3-methyl-N-propan-2-ylbutanamide
PubChem CID21366324
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name2-ethoxy-3-methyl-N-propan-2-ylbutanamide
SMILESCCOC(C(=O)NC(C)C)C(C)C
InChIInChI=1S/C10H21NO2/c1-6-13-9(7(2)3)10(12)11-8(4)5/h7-9H,6H2,1-5H3,(H,11,12)
InChIKeyRLXCNIGKGPKPMQ-UHFFFAOYSA-N
XLogP1.57
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-3-methyl-N-propan-2-ylbutanamide?
The IUPAC name of 2-ethoxy-3-methyl-N-propan-2-ylbutanamide (CID 21366324) is 2-ethoxy-3-methyl-N-propan-2-ylbutanamide.
What is the SMILES notation for 2-ethoxy-3-methyl-N-propan-2-ylbutanamide?
The canonical SMILES for 2-ethoxy-3-methyl-N-propan-2-ylbutanamide is CCOC(C(=O)NC(C)C)C(C)C.
What is the InChIKey of 2-ethoxy-3-methyl-N-propan-2-ylbutanamide?
The InChIKey is RLXCNIGKGPKPMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-6-13-9(7(2)3)10(12)11-8(4)5/h7-9H,6H2,1-5H3,(H,11,12).
What are the key properties of 2-ethoxy-3-methyl-N-propan-2-ylbutanamide?
2-ethoxy-3-methyl-N-propan-2-ylbutanamide has a molecular weight of 187.28 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3-methyl-N-propan-2-ylbutanamide is sourced from PubChem (CID 21366324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).