N-(furan-2-ylmethyl)-2,5-dimethyl-N-[3-[3-(2-methylpiperidin-1-yl)propylamino]-3-oxopropyl]furan-3-carboxamide

C24H35N3O4 — CID 4534902

IUPACN-(furan-2-ylmethyl)-2,5-dimethyl-N-[3-[3-(2-methylpiperidin-1-yl)propylamino]-3-oxopropyl]furan-3-carboxamide
SMILESCc1cc(C(=O)N(CCC(=O)NCCCN2CCCCC2C)Cc2ccco2)c(C)o1
InChIInChI=1S/C24H35N3O4/c1-18-8-4-5-12-26(18)13-7-11-25-23(28)10-14-27(17-21-9-6-15-30-21)24(29)22-16-19(2)31-20(22)3/h6,9,15-16,18H,4-5,7-8,10-14,17H2,1-3H3,(H,25,28)
InChIKeyAKNQJUKUZNOESF-UHFFFAOYSA-N
MW429.56 g/mol
LogP3.90
Rot. Bonds10

About N-(furan-2-ylmethyl)-2,5-dimethyl-N-[3-[3-(2-methylpiperidin-1-yl)propylamino]-3-oxopropyl]furan-3-carboxamide

N-(furan-2-ylmethyl)-2,5-dimethyl-N-[3-[3-(2-methylpiperidin-1-yl)propylamino]-3-oxopropyl]furan-3-carboxamide (PubChem CID 4534902) has the molecular formula C24H35N3O4 and a molecular weight of 429.56 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2,5-dimethyl-N-[3-[3-(2-methylpiperidin-1-yl)propylamino]-3-oxopropyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2,5-dimethyl-N-[3-[3-(2-methylpiperidin-1-yl)propylamino]-3-oxopropyl]furan-3-carboxamide
PubChem CID4534902
Molecular FormulaC24H35N3O4
Molecular Weight429.56 g/mol
Exact Mass429.26
IUPAC NameN-(furan-2-ylmethyl)-2,5-dimethyl-N-[3-[3-(2-methylpiperidin-1-yl)propylamino]-3-oxopropyl]furan-3-carboxamide
SMILESCc1cc(C(=O)N(CCC(=O)NCCCN2CCCCC2C)Cc2ccco2)c(C)o1
InChIInChI=1S/C24H35N3O4/c1-18-8-4-5-12-26(18)13-7-11-25-23(28)10-14-27(17-21-9-6-15-30-21)24(29)22-16-19(2)31-20(22)3/h6,9,15-16,18H,4-5,7-8,10-14,17H2,1-3H3,(H,25,28)
InChIKeyAKNQJUKUZNOESF-UHFFFAOYSA-N
XLogP3.90
TPSA78.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.56
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(furan-2-ylmethyl)-2,5-dimethyl-N-[3-oxo-3-(2-phenylethylamino)propyl]furan-3-carboxamide
CID 5071057
N-[3-(3,4-dimethylanilino)-3-oxopropyl]-N-(furan-2-ylmethyl)-2,5-dimethylfuran-3-carboxamide
CID 1030454
N-(furan-2-ylmethyl)-2,5-dimethyl-N-[3-oxo-3-(pyridin-4-ylmethylamino)propyl]furan-3-carboxamide
CID 42779751
N-(furan-2-ylmethyl)-2,5-dimethyl-N-[3-oxo-3-(1-phenylethylamino)propyl]furan-3-carboxamide
CID 4115745
N-[3-[5-(diethylamino)pentan-2-ylamino]-3-oxopropyl]-N-(furan-2-ylmethyl)-2,5-dimethylfuran-3-carboxamide
CID 5075714
N-[3-(4-benzhydrylpiperazin-1-yl)-3-oxopropyl]-N-(furan-2-ylmethyl)-2,5-dimethylfuran-3-carboxamide
CID 1030449
N-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-N-(furan-2-ylmethyl)-2,5-dimethylfuran-3-carboxamide
CID 1030452
N-(furan-2-ylmethyl)-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]-2,5-dimethylfuran-3-carboxamide
CID 1030450
N-benzyl-N-[3-[3-[(2S)-2-methylpiperidin-1-yl]propylamino]-3-oxopropyl]pyrazine-2-carboxamide
CID 7495019
2-[[[2-(furan-2-yl)ethylamino]-[3-(2-methylpiperidin-1-yl)propylamino]methylidene]amino]-N,N-dimethylacetamide
CID 111907429
N-(2-methoxyethyl)-2,5-dimethyl-N-[3-oxo-3-(2-pyrrolidin-1-ylethylamino)propyl]furan-3-carboxamide
CID 4112868
N-[3-(butylamino)-3-oxopropyl]-N-(furan-2-ylmethyl)furan-3-carboxamide
CID 42779623

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2,5-dimethyl-N-[3-[3-(2-methylpiperidin-1-yl)propylamino]-3-oxopropyl]furan-3-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-2,5-dimethyl-N-[3-[3-(2-methylpiperidin-1-yl)propylamino]-3-oxopropyl]furan-3-carboxamide (CID 4534902) is N-(furan-2-ylmethyl)-2,5-dimethyl-N-[3-[3-(2-methylpiperidin-1-yl)propylamino]-3-oxopropyl]furan-3-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2,5-dimethyl-N-[3-[3-(2-methylpiperidin-1-yl)propylamino]-3-oxopropyl]furan-3-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2,5-dimethyl-N-[3-[3-(2-methylpiperidin-1-yl)propylamino]-3-oxopropyl]furan-3-carboxamide is Cc1cc(C(=O)N(CCC(=O)NCCCN2CCCCC2C)Cc2ccco2)c(C)o1.
What is the InChIKey of N-(furan-2-ylmethyl)-2,5-dimethyl-N-[3-[3-(2-methylpiperidin-1-yl)propylamino]-3-oxopropyl]furan-3-carboxamide?
The InChIKey is AKNQJUKUZNOESF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N3O4/c1-18-8-4-5-12-26(18)13-7-11-25-23(28)10-14-27(17-21-9-6-15-30-21)24(29)22-16-19(2)31-20(22)3/h6,9,15-16,18H,4-5,7-8,10-14,17H2,1-3H3,(H,25,28).
What are the key properties of N-(furan-2-ylmethyl)-2,5-dimethyl-N-[3-[3-(2-methylpiperidin-1-yl)propylamino]-3-oxopropyl]furan-3-carboxamide?
N-(furan-2-ylmethyl)-2,5-dimethyl-N-[3-[3-(2-methylpiperidin-1-yl)propylamino]-3-oxopropyl]furan-3-carboxamide has a molecular weight of 429.56 g/mol, XLogP of 3.90, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2,5-dimethyl-N-[3-[3-(2-methylpiperidin-1-yl)propylamino]-3-oxopropyl]furan-3-carboxamide is sourced from PubChem (CID 4534902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).