2-(cyclopropylmethylamino)-N-(1-ethoxy-3-methylbutan-2-yl)acetamide

C13H26N2O2 — CID 114113785

IUPAC2-(cyclopropylmethylamino)-N-(1-ethoxy-3-methylbutan-2-yl)acetamide
SMILESCCOCC(NC(=O)CNCC1CC1)C(C)C
InChIInChI=1S/C13H26N2O2/c1-4-17-9-12(10(2)3)15-13(16)8-14-7-11-5-6-11/h10-12,14H,4-9H2,1-3H3,(H,15,16)
InChIKeyPBHYEKLOABHQAO-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.16
Rot. Bonds9

About 2-(cyclopropylmethylamino)-N-(1-ethoxy-3-methylbutan-2-yl)acetamide

2-(cyclopropylmethylamino)-N-(1-ethoxy-3-methylbutan-2-yl)acetamide (PubChem CID 114113785) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-N-(1-ethoxy-3-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-N-(1-ethoxy-3-methylbutan-2-yl)acetamide
PubChem CID114113785
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name2-(cyclopropylmethylamino)-N-(1-ethoxy-3-methylbutan-2-yl)acetamide
SMILESCCOCC(NC(=O)CNCC1CC1)C(C)C
InChIInChI=1S/C13H26N2O2/c1-4-17-9-12(10(2)3)15-13(16)8-14-7-11-5-6-11/h10-12,14H,4-9H2,1-3H3,(H,15,16)
InChIKeyPBHYEKLOABHQAO-UHFFFAOYSA-N
XLogP1.16
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-N-(1-ethoxy-3-methylbutan-2-yl)acetamide?
The IUPAC name of 2-(cyclopropylmethylamino)-N-(1-ethoxy-3-methylbutan-2-yl)acetamide (CID 114113785) is 2-(cyclopropylmethylamino)-N-(1-ethoxy-3-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-(cyclopropylmethylamino)-N-(1-ethoxy-3-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-(cyclopropylmethylamino)-N-(1-ethoxy-3-methylbutan-2-yl)acetamide is CCOCC(NC(=O)CNCC1CC1)C(C)C.
What is the InChIKey of 2-(cyclopropylmethylamino)-N-(1-ethoxy-3-methylbutan-2-yl)acetamide?
The InChIKey is PBHYEKLOABHQAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-4-17-9-12(10(2)3)15-13(16)8-14-7-11-5-6-11/h10-12,14H,4-9H2,1-3H3,(H,15,16).
What are the key properties of 2-(cyclopropylmethylamino)-N-(1-ethoxy-3-methylbutan-2-yl)acetamide?
2-(cyclopropylmethylamino)-N-(1-ethoxy-3-methylbutan-2-yl)acetamide has a molecular weight of 242.36 g/mol, XLogP of 1.16, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-N-(1-ethoxy-3-methylbutan-2-yl)acetamide is sourced from PubChem (CID 114113785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).