1-N,4-N-dimethyl-1-N-pyrrolidin-3-yl-4-N-(1H-pyrrol-3-yl)cyclohexane-1,4-dicarboxamide

C18H28N4O2 — CID 138499896

IUPAC1-N,4-N-dimethyl-1-N-pyrrolidin-3-yl-4-N-(1H-pyrrol-3-yl)cyclohexane-1,4-dicarboxamide
SMILESCN(C(=O)C1CCC(C(=O)N(C)C2CCNC2)CC1)c1cc[nH]c1
InChIInChI=1S/C18H28N4O2/c1-21(15-7-9-19-11-15)17(23)13-3-5-14(6-4-13)18(24)22(2)16-8-10-20-12-16/h7,9,11,13-14,16,19-20H,3-6,8,10,12H2,1-2H3
InChIKeySANUGJJOQDXWCA-UHFFFAOYSA-N
MW332.45 g/mol
LogP1.60
Rot. Bonds4

About 1-N,4-N-dimethyl-1-N-pyrrolidin-3-yl-4-N-(1H-pyrrol-3-yl)cyclohexane-1,4-dicarboxamide

1-N,4-N-dimethyl-1-N-pyrrolidin-3-yl-4-N-(1H-pyrrol-3-yl)cyclohexane-1,4-dicarboxamide (PubChem CID 138499896) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 1-N,4-N-dimethyl-1-N-pyrrolidin-3-yl-4-N-(1H-pyrrol-3-yl)cyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N,4-N-dimethyl-1-N-pyrrolidin-3-yl-4-N-(1H-pyrrol-3-yl)cyclohexane-1,4-dicarboxamide
PubChem CID138499896
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name1-N,4-N-dimethyl-1-N-pyrrolidin-3-yl-4-N-(1H-pyrrol-3-yl)cyclohexane-1,4-dicarboxamide
SMILESCN(C(=O)C1CCC(C(=O)N(C)C2CCNC2)CC1)c1cc[nH]c1
InChIInChI=1S/C18H28N4O2/c1-21(15-7-9-19-11-15)17(23)13-3-5-14(6-4-13)18(24)22(2)16-8-10-20-12-16/h7,9,11,13-14,16,19-20H,3-6,8,10,12H2,1-2H3
InChIKeySANUGJJOQDXWCA-UHFFFAOYSA-N
XLogP1.60
TPSA68.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-dimethyl-1-N-pyrrolidin-3-yl-4-N-(1H-pyrrol-3-yl)cyclohexane-1,4-dicarboxamide?
The IUPAC name of 1-N,4-N-dimethyl-1-N-pyrrolidin-3-yl-4-N-(1H-pyrrol-3-yl)cyclohexane-1,4-dicarboxamide (CID 138499896) is 1-N,4-N-dimethyl-1-N-pyrrolidin-3-yl-4-N-(1H-pyrrol-3-yl)cyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 1-N,4-N-dimethyl-1-N-pyrrolidin-3-yl-4-N-(1H-pyrrol-3-yl)cyclohexane-1,4-dicarboxamide?
The canonical SMILES for 1-N,4-N-dimethyl-1-N-pyrrolidin-3-yl-4-N-(1H-pyrrol-3-yl)cyclohexane-1,4-dicarboxamide is CN(C(=O)C1CCC(C(=O)N(C)C2CCNC2)CC1)c1cc[nH]c1.
What is the InChIKey of 1-N,4-N-dimethyl-1-N-pyrrolidin-3-yl-4-N-(1H-pyrrol-3-yl)cyclohexane-1,4-dicarboxamide?
The InChIKey is SANUGJJOQDXWCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-21(15-7-9-19-11-15)17(23)13-3-5-14(6-4-13)18(24)22(2)16-8-10-20-12-16/h7,9,11,13-14,16,19-20H,3-6,8,10,12H2,1-2H3.
What are the key properties of 1-N,4-N-dimethyl-1-N-pyrrolidin-3-yl-4-N-(1H-pyrrol-3-yl)cyclohexane-1,4-dicarboxamide?
1-N,4-N-dimethyl-1-N-pyrrolidin-3-yl-4-N-(1H-pyrrol-3-yl)cyclohexane-1,4-dicarboxamide has a molecular weight of 332.45 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-dimethyl-1-N-pyrrolidin-3-yl-4-N-(1H-pyrrol-3-yl)cyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 138499896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).