1-N,4-N-bis[4-(pyrrolidine-1-carbonyl)phenyl]benzene-1,4-dicarboxamide

C30H30N4O4 — CID 17196721

IUPAC1-N,4-N-bis[4-(pyrrolidine-1-carbonyl)phenyl]benzene-1,4-dicarboxamide
SMILESO=C(Nc1ccc(C(=O)N2CCCC2)cc1)c1ccc(C(=O)Nc2ccc(C(=O)N3CCCC3)cc2)cc1
InChIInChI=1S/C30H30N4O4/c35-27(31-25-13-9-23(10-14-25)29(37)33-17-1-2-18-33)21-5-7-22(8-6-21)28(36)32-26-15-11-24(12-16-26)30(38)34-19-3-4-20-34/h5-16H,1-4,17-20H2,(H,31,35)(H,32,36)
InChIKeyFDYCEGVGUSHCDW-UHFFFAOYSA-N
MW510.59 g/mol
LogP4.66
Rot. Bonds6

About 1-N,4-N-bis[4-(pyrrolidine-1-carbonyl)phenyl]benzene-1,4-dicarboxamide

1-N,4-N-bis[4-(pyrrolidine-1-carbonyl)phenyl]benzene-1,4-dicarboxamide (PubChem CID 17196721) has the molecular formula C30H30N4O4 and a molecular weight of 510.59 g/mol. Its IUPAC name is 1-N,4-N-bis[4-(pyrrolidine-1-carbonyl)phenyl]benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N,4-N-bis[4-(pyrrolidine-1-carbonyl)phenyl]benzene-1,4-dicarboxamide
PubChem CID17196721
Molecular FormulaC30H30N4O4
Molecular Weight510.59 g/mol
Exact Mass510.23
IUPAC Name1-N,4-N-bis[4-(pyrrolidine-1-carbonyl)phenyl]benzene-1,4-dicarboxamide
SMILESO=C(Nc1ccc(C(=O)N2CCCC2)cc1)c1ccc(C(=O)Nc2ccc(C(=O)N3CCCC3)cc2)cc1
InChIInChI=1S/C30H30N4O4/c35-27(31-25-13-9-23(10-14-25)29(37)33-17-1-2-18-33)21-5-7-22(8-6-21)28(36)32-26-15-11-24(12-16-26)30(38)34-19-3-4-20-34/h5-16H,1-4,17-20H2,(H,31,35)(H,32,36)
InChIKeyFDYCEGVGUSHCDW-UHFFFAOYSA-N
XLogP4.66
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.59
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(azepane-1-carbonyl)phenyl]benzamide
CID 17153241
N-phenyl-4-(pyrrolidine-1-carbonyl)benzamide
CID 109044285
N-(4-tert-butylphenyl)-4-(pyrrolidine-1-carbonyl)benzamide
CID 109044308
N-[4-(azepane-1-carbonyl)phenyl]pyridine-4-carboxamide
CID 17199064
4-(phenylcarbamoylamino)-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 55532549
N-[4-(dimethylamino)phenyl]-4-(pyrrolidine-1-carbonyl)benzamide
CID 109044347
4-(azepane-1-carbonyl)-N-(4-cyanophenyl)benzamide
CID 109049196
4-phenoxy-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 55532346
3,5-dichloro-N-[4-(piperidine-1-carbonyl)phenyl]benzamide
CID 26167664
N-(3,4-dichlorophenyl)-4-(pyrrolidine-1-carbonyl)benzamide
CID 109044373
N-[4-(pyrrolidine-1-carbonyl)phenyl]-4-(trifluoromethoxy)benzamide
CID 30684530
N-(4-ethoxyphenyl)-4-(piperidine-1-carbonyl)benzamide
CID 109044668

Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-bis[4-(pyrrolidine-1-carbonyl)phenyl]benzene-1,4-dicarboxamide?
The IUPAC name of 1-N,4-N-bis[4-(pyrrolidine-1-carbonyl)phenyl]benzene-1,4-dicarboxamide (CID 17196721) is 1-N,4-N-bis[4-(pyrrolidine-1-carbonyl)phenyl]benzene-1,4-dicarboxamide.
What is the SMILES notation for 1-N,4-N-bis[4-(pyrrolidine-1-carbonyl)phenyl]benzene-1,4-dicarboxamide?
The canonical SMILES for 1-N,4-N-bis[4-(pyrrolidine-1-carbonyl)phenyl]benzene-1,4-dicarboxamide is O=C(Nc1ccc(C(=O)N2CCCC2)cc1)c1ccc(C(=O)Nc2ccc(C(=O)N3CCCC3)cc2)cc1.
What is the InChIKey of 1-N,4-N-bis[4-(pyrrolidine-1-carbonyl)phenyl]benzene-1,4-dicarboxamide?
The InChIKey is FDYCEGVGUSHCDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N4O4/c35-27(31-25-13-9-23(10-14-25)29(37)33-17-1-2-18-33)21-5-7-22(8-6-21)28(36)32-26-15-11-24(12-16-26)30(38)34-19-3-4-20-34/h5-16H,1-4,17-20H2,(H,31,35)(H,32,36).
What are the key properties of 1-N,4-N-bis[4-(pyrrolidine-1-carbonyl)phenyl]benzene-1,4-dicarboxamide?
1-N,4-N-bis[4-(pyrrolidine-1-carbonyl)phenyl]benzene-1,4-dicarboxamide has a molecular weight of 510.59 g/mol, XLogP of 4.66, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-bis[4-(pyrrolidine-1-carbonyl)phenyl]benzene-1,4-dicarboxamide is sourced from PubChem (CID 17196721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).