N-cyclopropyl-4-[[furan-2-ylmethyl-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]amino]methyl]benzamide

C29H34N4O3 — CID 34216526

IUPACN-cyclopropyl-4-[[furan-2-ylmethyl-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]amino]methyl]benzamide
SMILESCc1cccc(N2CCN(C(=O)CN(Cc3ccc(C(=O)NC4CC4)cc3)Cc3ccco3)CC2)c1
InChIInChI=1S/C29H34N4O3/c1-22-4-2-5-26(18-22)32-13-15-33(16-14-32)28(34)21-31(20-27-6-3-17-36-27)19-23-7-9-24(10-8-23)29(35)30-25-11-12-25/h2-10,17-18,25H,11-16,19-21H2,1H3,(H,30,35)
InChIKeyZEOPFNKVJDAXMF-UHFFFAOYSA-N
MW486.62 g/mol
LogP3.83
Rot. Bonds9

About N-cyclopropyl-4-[[furan-2-ylmethyl-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]amino]methyl]benzamide

N-cyclopropyl-4-[[furan-2-ylmethyl-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]amino]methyl]benzamide (PubChem CID 34216526) has the molecular formula C29H34N4O3 and a molecular weight of 486.62 g/mol. Its IUPAC name is N-cyclopropyl-4-[[furan-2-ylmethyl-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]amino]methyl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[[furan-2-ylmethyl-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]amino]methyl]benzamide
PubChem CID34216526
Molecular FormulaC29H34N4O3
Molecular Weight486.62 g/mol
Exact Mass486.26
IUPAC NameN-cyclopropyl-4-[[furan-2-ylmethyl-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]amino]methyl]benzamide
SMILESCc1cccc(N2CCN(C(=O)CN(Cc3ccc(C(=O)NC4CC4)cc3)Cc3ccco3)CC2)c1
InChIInChI=1S/C29H34N4O3/c1-22-4-2-5-26(18-22)32-13-15-33(16-14-32)28(34)21-31(20-27-6-3-17-36-27)19-23-7-9-24(10-8-23)29(35)30-25-11-12-25/h2-10,17-18,25H,11-16,19-21H2,1H3,(H,30,35)
InChIKeyZEOPFNKVJDAXMF-UHFFFAOYSA-N
XLogP3.83
TPSA69.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.62
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[2-[[4-(cyclopropylcarbamoyl)phenyl]methyl-(furan-2-ylmethyl)amino]acetyl]piperazine-1-carboxylate
CID 34215828
N-cyclopropyl-4-[[furan-2-ylmethyl-[2-[(2S)-2-methylmorpholin-4-yl]-2-oxoethyl]amino]methyl]benzamide
CID 34216601
4-[[(2-amino-2-oxoethyl)-(furan-2-ylmethyl)amino]methyl]-N-cyclopropylbenzamide
CID 34943139
N-cyclopropyl-4-[[[2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl]-(furan-2-ylmethyl)amino]methyl]benzamide
CID 34944479
N-cyclopropyl-4-[[furan-2-ylmethyl-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]amino]methyl]benzamide
CID 55591604
4-[[[2-[(1-cyano-1-cyclopropylethyl)amino]-2-oxoethyl]-(furan-2-ylmethyl)amino]methyl]-N-cyclopropylbenzamide
CID 43061589
4-[[[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-(furan-2-ylmethyl)amino]methyl]-N-methylbenzamide
CID 34941214
N-cyclopropyl-4-[[[2-(3,4-dimethoxyanilino)-2-oxoethyl]-(furan-2-ylmethyl)amino]methyl]benzamide
CID 30798231
N-cyclopropyl-4-[[furan-2-ylmethyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]benzamide
CID 34943754
4-[[[2-(2-bromoanilino)-2-oxoethyl]-(furan-2-ylmethyl)amino]methyl]-N-cyclopropylbenzamide
CID 34943710
N-cyclopropyl-4-[[furan-2-ylmethyl-[(4-nitrophenyl)methyl]amino]methyl]benzamide
CID 33216162
N-cyclopropyl-4-[[[2-(2,4-difluoroanilino)-2-oxoethyl]-(furan-2-ylmethyl)amino]methyl]benzamide
CID 34943334

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[[furan-2-ylmethyl-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]amino]methyl]benzamide?
The IUPAC name of N-cyclopropyl-4-[[furan-2-ylmethyl-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]amino]methyl]benzamide (CID 34216526) is N-cyclopropyl-4-[[furan-2-ylmethyl-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]amino]methyl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-[[furan-2-ylmethyl-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]amino]methyl]benzamide?
The canonical SMILES for N-cyclopropyl-4-[[furan-2-ylmethyl-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]amino]methyl]benzamide is Cc1cccc(N2CCN(C(=O)CN(Cc3ccc(C(=O)NC4CC4)cc3)Cc3ccco3)CC2)c1.
What is the InChIKey of N-cyclopropyl-4-[[furan-2-ylmethyl-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]amino]methyl]benzamide?
The InChIKey is ZEOPFNKVJDAXMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N4O3/c1-22-4-2-5-26(18-22)32-13-15-33(16-14-32)28(34)21-31(20-27-6-3-17-36-27)19-23-7-9-24(10-8-23)29(35)30-25-11-12-25/h2-10,17-18,25H,11-16,19-21H2,1H3,(H,30,35).
What are the key properties of N-cyclopropyl-4-[[furan-2-ylmethyl-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]amino]methyl]benzamide?
N-cyclopropyl-4-[[furan-2-ylmethyl-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]amino]methyl]benzamide has a molecular weight of 486.62 g/mol, XLogP of 3.83, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[[furan-2-ylmethyl-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]amino]methyl]benzamide is sourced from PubChem (CID 34216526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).