N-cycloheptyl-2-[(3S)-3-methoxypyrrolidin-1-yl]acetamide

C14H26N2O2 — CID 164640528

IUPACN-cycloheptyl-2-[(3S)-3-methoxypyrrolidin-1-yl]acetamide
SMILESCO[C@H]1CCN(CC(=O)NC2CCCCCC2)C1
InChIInChI=1S/C14H26N2O2/c1-18-13-8-9-16(10-13)11-14(17)15-12-6-4-2-3-5-7-12/h12-13H,2-11H2,1H3,(H,15,17)/t13-/m0/s1
InChIKeyMTLZSVIQRDFPDM-ZDUSSCGKSA-N
MW254.37 g/mol
LogP1.55
Rot. Bonds4

About N-cycloheptyl-2-[(3S)-3-methoxypyrrolidin-1-yl]acetamide

N-cycloheptyl-2-[(3S)-3-methoxypyrrolidin-1-yl]acetamide (PubChem CID 164640528) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is N-cycloheptyl-2-[(3S)-3-methoxypyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-cycloheptyl-2-[(3S)-3-methoxypyrrolidin-1-yl]acetamide
PubChem CID164640528
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC NameN-cycloheptyl-2-[(3S)-3-methoxypyrrolidin-1-yl]acetamide
SMILESCO[C@H]1CCN(CC(=O)NC2CCCCCC2)C1
InChIInChI=1S/C14H26N2O2/c1-18-13-8-9-16(10-13)11-14(17)15-12-6-4-2-3-5-7-12/h12-13H,2-11H2,1H3,(H,15,17)/t13-/m0/s1
InChIKeyMTLZSVIQRDFPDM-ZDUSSCGKSA-N
XLogP1.55
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-[(3S)-3-methoxypyrrolidin-1-yl]acetamide?
The IUPAC name of N-cycloheptyl-2-[(3S)-3-methoxypyrrolidin-1-yl]acetamide (CID 164640528) is N-cycloheptyl-2-[(3S)-3-methoxypyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-cycloheptyl-2-[(3S)-3-methoxypyrrolidin-1-yl]acetamide?
The canonical SMILES for N-cycloheptyl-2-[(3S)-3-methoxypyrrolidin-1-yl]acetamide is CO[C@H]1CCN(CC(=O)NC2CCCCCC2)C1.
What is the InChIKey of N-cycloheptyl-2-[(3S)-3-methoxypyrrolidin-1-yl]acetamide?
The InChIKey is MTLZSVIQRDFPDM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-18-13-8-9-16(10-13)11-14(17)15-12-6-4-2-3-5-7-12/h12-13H,2-11H2,1H3,(H,15,17)/t13-/m0/s1.
What are the key properties of N-cycloheptyl-2-[(3S)-3-methoxypyrrolidin-1-yl]acetamide?
N-cycloheptyl-2-[(3S)-3-methoxypyrrolidin-1-yl]acetamide has a molecular weight of 254.37 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-[(3S)-3-methoxypyrrolidin-1-yl]acetamide is sourced from PubChem (CID 164640528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).