2-[(1-aminocycloheptyl)methoxy]-N-(cyclopropylmethyl)acetamide

C14H26N2O2 — CID 64549146

IUPAC2-[(1-aminocycloheptyl)methoxy]-N-(cyclopropylmethyl)acetamide
SMILESNC1(COCC(=O)NCC2CC2)CCCCCC1
InChIInChI=1S/C14H26N2O2/c15-14(7-3-1-2-4-8-14)11-18-10-13(17)16-9-12-5-6-12/h12H,1-11,15H2,(H,16,17)
InChIKeyOIXBNADTBRQGQY-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.58
Rot. Bonds6

About 2-[(1-aminocycloheptyl)methoxy]-N-(cyclopropylmethyl)acetamide

2-[(1-aminocycloheptyl)methoxy]-N-(cyclopropylmethyl)acetamide (PubChem CID 64549146) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 2-[(1-aminocycloheptyl)methoxy]-N-(cyclopropylmethyl)acetamide.

Molecular Properties

Compound Name2-[(1-aminocycloheptyl)methoxy]-N-(cyclopropylmethyl)acetamide
PubChem CID64549146
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name2-[(1-aminocycloheptyl)methoxy]-N-(cyclopropylmethyl)acetamide
SMILESNC1(COCC(=O)NCC2CC2)CCCCCC1
InChIInChI=1S/C14H26N2O2/c15-14(7-3-1-2-4-8-14)11-18-10-13(17)16-9-12-5-6-12/h12H,1-11,15H2,(H,16,17)
InChIKeyOIXBNADTBRQGQY-UHFFFAOYSA-N
XLogP1.58
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-aminocycloheptyl)methoxy]-N-(cyclopropylmethyl)acetamide?
The IUPAC name of 2-[(1-aminocycloheptyl)methoxy]-N-(cyclopropylmethyl)acetamide (CID 64549146) is 2-[(1-aminocycloheptyl)methoxy]-N-(cyclopropylmethyl)acetamide.
What is the SMILES notation for 2-[(1-aminocycloheptyl)methoxy]-N-(cyclopropylmethyl)acetamide?
The canonical SMILES for 2-[(1-aminocycloheptyl)methoxy]-N-(cyclopropylmethyl)acetamide is NC1(COCC(=O)NCC2CC2)CCCCCC1.
What is the InChIKey of 2-[(1-aminocycloheptyl)methoxy]-N-(cyclopropylmethyl)acetamide?
The InChIKey is OIXBNADTBRQGQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c15-14(7-3-1-2-4-8-14)11-18-10-13(17)16-9-12-5-6-12/h12H,1-11,15H2,(H,16,17).
What are the key properties of 2-[(1-aminocycloheptyl)methoxy]-N-(cyclopropylmethyl)acetamide?
2-[(1-aminocycloheptyl)methoxy]-N-(cyclopropylmethyl)acetamide has a molecular weight of 254.37 g/mol, XLogP of 1.58, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-aminocycloheptyl)methoxy]-N-(cyclopropylmethyl)acetamide is sourced from PubChem (CID 64549146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).