4-(dimethylamino)-N-[4-[5-[4-[4-(dimethylamino)butanoylamino]phenyl]furan-2-yl]phenyl]butanamide

C28H36N4O3 — CID 10412715

IUPAC4-(dimethylamino)-N-[4-[5-[4-[4-(dimethylamino)butanoylamino]phenyl]furan-2-yl]phenyl]butanamide
SMILESCN(C)CCCC(=O)Nc1ccc(-c2ccc(-c3ccc(NC(=O)CCCN(C)C)cc3)o2)cc1
InChIInChI=1S/C28H36N4O3/c1-31(2)19-5-7-27(33)29-23-13-9-21(10-14-23)25-17-18-26(35-25)22-11-15-24(16-12-22)30-28(34)8-6-20-32(3)4/h9-18H,5-8,19-20H2,1-4H3,(H,29,33)(H,30,34)
InChIKeyZRRFHLHNLWLQLL-UHFFFAOYSA-N
MW476.62 g/mol
LogP5.17
Rot. Bonds12

About 4-(dimethylamino)-N-[4-[5-[4-[4-(dimethylamino)butanoylamino]phenyl]furan-2-yl]phenyl]butanamide

4-(dimethylamino)-N-[4-[5-[4-[4-(dimethylamino)butanoylamino]phenyl]furan-2-yl]phenyl]butanamide (PubChem CID 10412715) has the molecular formula C28H36N4O3 and a molecular weight of 476.62 g/mol. Its IUPAC name is 4-(dimethylamino)-N-[4-[5-[4-[4-(dimethylamino)butanoylamino]phenyl]furan-2-yl]phenyl]butanamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-[4-[5-[4-[4-(dimethylamino)butanoylamino]phenyl]furan-2-yl]phenyl]butanamide
PubChem CID10412715
Molecular FormulaC28H36N4O3
Molecular Weight476.62 g/mol
Exact Mass476.28
IUPAC Name4-(dimethylamino)-N-[4-[5-[4-[4-(dimethylamino)butanoylamino]phenyl]furan-2-yl]phenyl]butanamide
SMILESCN(C)CCCC(=O)Nc1ccc(-c2ccc(-c3ccc(NC(=O)CCCN(C)C)cc3)o2)cc1
InChIInChI=1S/C28H36N4O3/c1-31(2)19-5-7-27(33)29-23-13-9-21(10-14-23)25-17-18-26(35-25)22-11-15-24(16-12-22)30-28(34)8-6-20-32(3)4/h9-18H,5-8,19-20H2,1-4H3,(H,29,33)(H,30,34)
InChIKeyZRRFHLHNLWLQLL-UHFFFAOYSA-N
XLogP5.17
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.62
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-(dimethylamino)-N-[4-[5-[4-[4-(dimethylamino)butanoylamino]phenyl]furan-2-yl]phenyl]butanamide with MolForge

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Related Compounds

Otilonium
CID 72093
Epptb
CID 25175634
Furan-2-carboxamide deriv., 5
CID 44236892
N-[4-(5-{[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl}furan-2-yl)phenyl]-5-methylfuran-2-carboxamide
CID 44236893
(2E)-N-(4-Acetylphenyl)-3-(5-ethyl-2-furyl)acrylamide
CID 7464118
N-[1-({[3-(dimethylamino)propyl]amino}carbonyl)-2-(5-{4-nitrophenyl}-2-furyl)vinyl]-4-methylbenzamide
CID 1719488
Benzamide, N-(2-amino-5-(3-furanyl)phenyl)-
CID 46830327
N-(2-amino-5-(furan-2-yl)phenyl)benzamide
CID 46830328
Furan-2-carboxamide deriv., 13
CID 44236899
4-(5-(125I)iodo-1-benzofuran-2-yl)-N-methyl(125I)aniline
CID 71451875
3-(5-ethylfuran-2-yl)-N-(4-ethylphenyl)propanamide
CID 942220
N-(4-ethylphenyl)-3-(5-methylfuran-2-yl)propanamide
CID 2952210

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-[4-[5-[4-[4-(dimethylamino)butanoylamino]phenyl]furan-2-yl]phenyl]butanamide?
The IUPAC name of 4-(dimethylamino)-N-[4-[5-[4-[4-(dimethylamino)butanoylamino]phenyl]furan-2-yl]phenyl]butanamide (CID 10412715) is 4-(dimethylamino)-N-[4-[5-[4-[4-(dimethylamino)butanoylamino]phenyl]furan-2-yl]phenyl]butanamide.
What is the SMILES notation for 4-(dimethylamino)-N-[4-[5-[4-[4-(dimethylamino)butanoylamino]phenyl]furan-2-yl]phenyl]butanamide?
The canonical SMILES for 4-(dimethylamino)-N-[4-[5-[4-[4-(dimethylamino)butanoylamino]phenyl]furan-2-yl]phenyl]butanamide is CN(C)CCCC(=O)Nc1ccc(-c2ccc(-c3ccc(NC(=O)CCCN(C)C)cc3)o2)cc1.
What is the InChIKey of 4-(dimethylamino)-N-[4-[5-[4-[4-(dimethylamino)butanoylamino]phenyl]furan-2-yl]phenyl]butanamide?
The InChIKey is ZRRFHLHNLWLQLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N4O3/c1-31(2)19-5-7-27(33)29-23-13-9-21(10-14-23)25-17-18-26(35-25)22-11-15-24(16-12-22)30-28(34)8-6-20-32(3)4/h9-18H,5-8,19-20H2,1-4H3,(H,29,33)(H,30,34).
What are the key properties of 4-(dimethylamino)-N-[4-[5-[4-[4-(dimethylamino)butanoylamino]phenyl]furan-2-yl]phenyl]butanamide?
4-(dimethylamino)-N-[4-[5-[4-[4-(dimethylamino)butanoylamino]phenyl]furan-2-yl]phenyl]butanamide has a molecular weight of 476.62 g/mol, XLogP of 5.17, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-[4-[5-[4-[4-(dimethylamino)butanoylamino]phenyl]furan-2-yl]phenyl]butanamide is sourced from PubChem (CID 10412715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).