N-[1-(ethylcarbamoyl)pyrrolidin-3-yl]-4-methylazepane-1-carboxamide

C15H28N4O2 — CID 71969300

IUPACN-[1-(ethylcarbamoyl)pyrrolidin-3-yl]-4-methylazepane-1-carboxamide
SMILESCCNC(=O)N1CCC(NC(=O)N2CCCC(C)CC2)C1
InChIInChI=1S/C15H28N4O2/c1-3-16-14(20)19-10-7-13(11-19)17-15(21)18-8-4-5-12(2)6-9-18/h12-13H,3-11H2,1-2H3,(H,16,20)(H,17,21)
InChIKeyXGNVXSOYVMNUHD-UHFFFAOYSA-N
MW296.41 g/mol
LogP1.62
Rot. Bonds2

About N-[1-(ethylcarbamoyl)pyrrolidin-3-yl]-4-methylazepane-1-carboxamide

N-[1-(ethylcarbamoyl)pyrrolidin-3-yl]-4-methylazepane-1-carboxamide (PubChem CID 71969300) has the molecular formula C15H28N4O2 and a molecular weight of 296.41 g/mol. Its IUPAC name is N-[1-(ethylcarbamoyl)pyrrolidin-3-yl]-4-methylazepane-1-carboxamide.

Molecular Properties

Compound NameN-[1-(ethylcarbamoyl)pyrrolidin-3-yl]-4-methylazepane-1-carboxamide
PubChem CID71969300
Molecular FormulaC15H28N4O2
Molecular Weight296.41 g/mol
Exact Mass296.22
IUPAC NameN-[1-(ethylcarbamoyl)pyrrolidin-3-yl]-4-methylazepane-1-carboxamide
SMILESCCNC(=O)N1CCC(NC(=O)N2CCCC(C)CC2)C1
InChIInChI=1S/C15H28N4O2/c1-3-16-14(20)19-10-7-13(11-19)17-15(21)18-8-4-5-12(2)6-9-18/h12-13H,3-11H2,1-2H3,(H,16,20)(H,17,21)
InChIKeyXGNVXSOYVMNUHD-UHFFFAOYSA-N
XLogP1.62
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(ethylcarbamoyl)pyrrolidin-3-yl]-4-methylazepane-1-carboxamide?
The IUPAC name of N-[1-(ethylcarbamoyl)pyrrolidin-3-yl]-4-methylazepane-1-carboxamide (CID 71969300) is N-[1-(ethylcarbamoyl)pyrrolidin-3-yl]-4-methylazepane-1-carboxamide.
What is the SMILES notation for N-[1-(ethylcarbamoyl)pyrrolidin-3-yl]-4-methylazepane-1-carboxamide?
The canonical SMILES for N-[1-(ethylcarbamoyl)pyrrolidin-3-yl]-4-methylazepane-1-carboxamide is CCNC(=O)N1CCC(NC(=O)N2CCCC(C)CC2)C1.
What is the InChIKey of N-[1-(ethylcarbamoyl)pyrrolidin-3-yl]-4-methylazepane-1-carboxamide?
The InChIKey is XGNVXSOYVMNUHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O2/c1-3-16-14(20)19-10-7-13(11-19)17-15(21)18-8-4-5-12(2)6-9-18/h12-13H,3-11H2,1-2H3,(H,16,20)(H,17,21).
What are the key properties of N-[1-(ethylcarbamoyl)pyrrolidin-3-yl]-4-methylazepane-1-carboxamide?
N-[1-(ethylcarbamoyl)pyrrolidin-3-yl]-4-methylazepane-1-carboxamide has a molecular weight of 296.41 g/mol, XLogP of 1.62, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(ethylcarbamoyl)pyrrolidin-3-yl]-4-methylazepane-1-carboxamide is sourced from PubChem (CID 71969300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).