N-cyclopentyl-N'-(2-cyclopropyloxan-4-yl)butanediamide

C17H28N2O3 — CID 127882118

IUPACN-cyclopentyl-N'-(2-cyclopropyloxan-4-yl)butanediamide
SMILESO=C(CCC(=O)NC1CCOC(C2CC2)C1)NC1CCCC1
InChIInChI=1S/C17H28N2O3/c20-16(18-13-3-1-2-4-13)7-8-17(21)19-14-9-10-22-15(11-14)12-5-6-12/h12-15H,1-11H2,(H,18,20)(H,19,21)
InChIKeyASMFOBKFDVFDSK-UHFFFAOYSA-N
MW308.42 g/mol
LogP1.90
Rot. Bonds6

About N-cyclopentyl-N'-(2-cyclopropyloxan-4-yl)butanediamide

N-cyclopentyl-N'-(2-cyclopropyloxan-4-yl)butanediamide (PubChem CID 127882118) has the molecular formula C17H28N2O3 and a molecular weight of 308.42 g/mol. Its IUPAC name is N-cyclopentyl-N'-(2-cyclopropyloxan-4-yl)butanediamide.

Molecular Properties

Compound NameN-cyclopentyl-N'-(2-cyclopropyloxan-4-yl)butanediamide
PubChem CID127882118
Molecular FormulaC17H28N2O3
Molecular Weight308.42 g/mol
Exact Mass308.21
IUPAC NameN-cyclopentyl-N'-(2-cyclopropyloxan-4-yl)butanediamide
SMILESO=C(CCC(=O)NC1CCOC(C2CC2)C1)NC1CCCC1
InChIInChI=1S/C17H28N2O3/c20-16(18-13-3-1-2-4-13)7-8-17(21)19-14-9-10-22-15(11-14)12-5-6-12/h12-15H,1-11H2,(H,18,20)(H,19,21)
InChIKeyASMFOBKFDVFDSK-UHFFFAOYSA-N
XLogP1.90
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N'-(2-cyclopropyloxan-4-yl)butanediamide?
The IUPAC name of N-cyclopentyl-N'-(2-cyclopropyloxan-4-yl)butanediamide (CID 127882118) is N-cyclopentyl-N'-(2-cyclopropyloxan-4-yl)butanediamide.
What is the SMILES notation for N-cyclopentyl-N'-(2-cyclopropyloxan-4-yl)butanediamide?
The canonical SMILES for N-cyclopentyl-N'-(2-cyclopropyloxan-4-yl)butanediamide is O=C(CCC(=O)NC1CCOC(C2CC2)C1)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-N'-(2-cyclopropyloxan-4-yl)butanediamide?
The InChIKey is ASMFOBKFDVFDSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O3/c20-16(18-13-3-1-2-4-13)7-8-17(21)19-14-9-10-22-15(11-14)12-5-6-12/h12-15H,1-11H2,(H,18,20)(H,19,21).
What are the key properties of N-cyclopentyl-N'-(2-cyclopropyloxan-4-yl)butanediamide?
N-cyclopentyl-N'-(2-cyclopropyloxan-4-yl)butanediamide has a molecular weight of 308.42 g/mol, XLogP of 1.90, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N'-(2-cyclopropyloxan-4-yl)butanediamide is sourced from PubChem (CID 127882118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).