N-[[1-[[5-(4-acetylpiperazine-1-carbonyl)furan-2-yl]methyl]pyrrol-2-yl]methyl]-4-methyl-N-propylbenzamide

C28H34N4O4 — CID 42787156

IUPACN-[[1-[[5-(4-acetylpiperazine-1-carbonyl)furan-2-yl]methyl]pyrrol-2-yl]methyl]-4-methyl-N-propylbenzamide
SMILESCCCN(Cc1cccn1Cc1ccc(C(=O)N2CCN(C(C)=O)CC2)o1)C(=O)c1ccc(C)cc1
InChIInChI=1S/C28H34N4O4/c1-4-13-32(27(34)23-9-7-21(2)8-10-23)19-24-6-5-14-31(24)20-25-11-12-26(36-25)28(35)30-17-15-29(16-18-30)22(3)33/h5-12,14H,4,13,15-20H2,1-3H3
InChIKeyRPXPZMNHRDPCBN-UHFFFAOYSA-N
MW490.60 g/mol
LogP3.79
Rot. Bonds8

About N-[[1-[[5-(4-acetylpiperazine-1-carbonyl)furan-2-yl]methyl]pyrrol-2-yl]methyl]-4-methyl-N-propylbenzamide

N-[[1-[[5-(4-acetylpiperazine-1-carbonyl)furan-2-yl]methyl]pyrrol-2-yl]methyl]-4-methyl-N-propylbenzamide (PubChem CID 42787156) has the molecular formula C28H34N4O4 and a molecular weight of 490.60 g/mol. Its IUPAC name is N-[[1-[[5-(4-acetylpiperazine-1-carbonyl)furan-2-yl]methyl]pyrrol-2-yl]methyl]-4-methyl-N-propylbenzamide.

Molecular Properties

Compound NameN-[[1-[[5-(4-acetylpiperazine-1-carbonyl)furan-2-yl]methyl]pyrrol-2-yl]methyl]-4-methyl-N-propylbenzamide
PubChem CID42787156
Molecular FormulaC28H34N4O4
Molecular Weight490.60 g/mol
Exact Mass490.26
IUPAC NameN-[[1-[[5-(4-acetylpiperazine-1-carbonyl)furan-2-yl]methyl]pyrrol-2-yl]methyl]-4-methyl-N-propylbenzamide
SMILESCCCN(Cc1cccn1Cc1ccc(C(=O)N2CCN(C(C)=O)CC2)o1)C(=O)c1ccc(C)cc1
InChIInChI=1S/C28H34N4O4/c1-4-13-32(27(34)23-9-7-21(2)8-10-23)19-24-6-5-14-31(24)20-25-11-12-26(36-25)28(35)30-17-15-29(16-18-30)22(3)33/h5-12,14H,4,13,15-20H2,1-3H3
InChIKeyRPXPZMNHRDPCBN-UHFFFAOYSA-N
XLogP3.79
TPSA79.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.60
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-N-propyl-N-[[1-[[5-(pyrrolidine-1-carbonyl)furan-2-yl]methyl]pyrrol-2-yl]methyl]benzamide
CID 42787126
ethyl 4-[5-[[2-[[(4-methylbenzoyl)-propylamino]methyl]pyrrol-1-yl]methyl]furan-2-carbonyl]piperazine-1-carboxylate
CID 42787138
N-[[1-[[5-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)furan-2-yl]methyl]pyrrol-2-yl]methyl]-4-methyl-N-propylbenzamide
CID 42787136
N-[[1-[[5-(4-ethylpiperazine-1-carbonyl)furan-2-yl]methyl]pyrrol-2-yl]methyl]-4-fluoro-N-propylbenzamide
CID 42787091
1-[5-[[2-[[(4-fluorobenzoyl)-propylamino]methyl]pyrrol-1-yl]methyl]furan-2-carbonyl]piperidine-4-carboxamide
CID 42787098
N-[[1-[[5-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]furan-2-yl]methyl]pyrrol-2-yl]methyl]-4-fluoro-N-propylbenzamide
CID 3883280
N-[[1-[[5-(piperidine-1-carbonyl)furan-2-yl]methyl]pyrrol-2-yl]methyl]-N-propylcyclopropanecarboxamide
CID 7265120
2-chloro-N-[[1-[[5-(4-methylpiperidine-1-carbonyl)furan-2-yl]methyl]pyrrol-2-yl]methyl]-N-propylbenzamide
CID 42666160
5-[[2-[[(4-methylbenzoyl)-propylamino]methyl]pyrrol-1-yl]methyl]-N-[[3-(trifluoromethyl)phenyl]methyl]furan-2-carboxamide
CID 42787157
N-[[1-[[5-[4-(2-methoxyphenyl)piperazine-1-carbonyl]furan-2-yl]methyl]pyrrol-2-yl]methyl]-N-propylpropanamide
CID 42787049
N-[[1-[[5-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)furan-2-yl]methyl]pyrrol-2-yl]methyl]-2-methoxy-N-propylacetamide
CID 42787362
N-[[1-[[5-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]furan-2-yl]methyl]pyrrol-2-yl]methyl]-N-propylfuran-2-carboxamide
CID 4664541

Frequently Asked Questions

What is the IUPAC name of N-[[1-[[5-(4-acetylpiperazine-1-carbonyl)furan-2-yl]methyl]pyrrol-2-yl]methyl]-4-methyl-N-propylbenzamide?
The IUPAC name of N-[[1-[[5-(4-acetylpiperazine-1-carbonyl)furan-2-yl]methyl]pyrrol-2-yl]methyl]-4-methyl-N-propylbenzamide (CID 42787156) is N-[[1-[[5-(4-acetylpiperazine-1-carbonyl)furan-2-yl]methyl]pyrrol-2-yl]methyl]-4-methyl-N-propylbenzamide.
What is the SMILES notation for N-[[1-[[5-(4-acetylpiperazine-1-carbonyl)furan-2-yl]methyl]pyrrol-2-yl]methyl]-4-methyl-N-propylbenzamide?
The canonical SMILES for N-[[1-[[5-(4-acetylpiperazine-1-carbonyl)furan-2-yl]methyl]pyrrol-2-yl]methyl]-4-methyl-N-propylbenzamide is CCCN(Cc1cccn1Cc1ccc(C(=O)N2CCN(C(C)=O)CC2)o1)C(=O)c1ccc(C)cc1.
What is the InChIKey of N-[[1-[[5-(4-acetylpiperazine-1-carbonyl)furan-2-yl]methyl]pyrrol-2-yl]methyl]-4-methyl-N-propylbenzamide?
The InChIKey is RPXPZMNHRDPCBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N4O4/c1-4-13-32(27(34)23-9-7-21(2)8-10-23)19-24-6-5-14-31(24)20-25-11-12-26(36-25)28(35)30-17-15-29(16-18-30)22(3)33/h5-12,14H,4,13,15-20H2,1-3H3.
What are the key properties of N-[[1-[[5-(4-acetylpiperazine-1-carbonyl)furan-2-yl]methyl]pyrrol-2-yl]methyl]-4-methyl-N-propylbenzamide?
N-[[1-[[5-(4-acetylpiperazine-1-carbonyl)furan-2-yl]methyl]pyrrol-2-yl]methyl]-4-methyl-N-propylbenzamide has a molecular weight of 490.60 g/mol, XLogP of 3.79, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[[5-(4-acetylpiperazine-1-carbonyl)furan-2-yl]methyl]pyrrol-2-yl]methyl]-4-methyl-N-propylbenzamide is sourced from PubChem (CID 42787156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).