[3-(3-carbamoyl-5-methylfuran-2-yl)phenyl] N-[3-(4-phenylpiperazin-1-yl)propyl]carbamate

C26H30N4O4 — CID 155550192

IUPAC[3-(3-carbamoyl-5-methylfuran-2-yl)phenyl] N-[3-(4-phenylpiperazin-1-yl)propyl]carbamate
SMILESCc1cc(C(N)=O)c(-c2cccc(OC(=O)NCCCN3CCN(c4ccccc4)CC3)c2)o1
InChIInChI=1S/C26H30N4O4/c1-19-17-23(25(27)31)24(33-19)20-7-5-10-22(18-20)34-26(32)28-11-6-12-29-13-15-30(16-14-29)21-8-3-2-4-9-21/h2-5,7-10,17-18H,6,11-16H2,1H3,(H2,27,31)(H,28,32)
InChIKeyRZBBQNAIKHGIFW-UHFFFAOYSA-N
MW462.55 g/mol
LogP3.65
Rot. Bonds8

About [3-(3-carbamoyl-5-methylfuran-2-yl)phenyl] N-[3-(4-phenylpiperazin-1-yl)propyl]carbamate

[3-(3-carbamoyl-5-methylfuran-2-yl)phenyl] N-[3-(4-phenylpiperazin-1-yl)propyl]carbamate (PubChem CID 155550192) has the molecular formula C26H30N4O4 and a molecular weight of 462.55 g/mol. Its IUPAC name is [3-(3-carbamoyl-5-methylfuran-2-yl)phenyl] N-[3-(4-phenylpiperazin-1-yl)propyl]carbamate.

Molecular Properties

Compound Name[3-(3-carbamoyl-5-methylfuran-2-yl)phenyl] N-[3-(4-phenylpiperazin-1-yl)propyl]carbamate
PubChem CID155550192
Molecular FormulaC26H30N4O4
Molecular Weight462.55 g/mol
Exact Mass462.23
IUPAC Name[3-(3-carbamoyl-5-methylfuran-2-yl)phenyl] N-[3-(4-phenylpiperazin-1-yl)propyl]carbamate
SMILESCc1cc(C(N)=O)c(-c2cccc(OC(=O)NCCCN3CCN(c4ccccc4)CC3)c2)o1
InChIInChI=1S/C26H30N4O4/c1-19-17-23(25(27)31)24(33-19)20-7-5-10-22(18-20)34-26(32)28-11-6-12-29-13-15-30(16-14-29)21-8-3-2-4-9-21/h2-5,7-10,17-18H,6,11-16H2,1H3,(H2,27,31)(H,28,32)
InChIKeyRZBBQNAIKHGIFW-UHFFFAOYSA-N
XLogP3.65
TPSA101.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.55
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[3-(3-carbamoyl-5-methylfuran-2-yl)phenyl] N-(6-phenylhexyl)carbamate
CID 46916519
3-{3-[(2-Methyl-5-phenyl-3-furoyl)amino]phenyl}acrylic acid
CID 673109
[3-(3-carbamoyl-5-methylfuran-2-yl)phenyl] N-[2-(4-phenylpiperazin-1-yl)ethyl]carbamate
CID 155535169
3-{3-[(2-Methyl-5-phenyl-furan-3-carbonyl)-amino]-phenyl}-acrylic acid
CID 2258032
[3-(4-carbamoyl-5-methylfuran-2-yl)phenyl] N-(6-phenylhexyl)carbamate
CID 46916516
[3-(3-carbamoyl-5-methylfuran-2-yl)phenyl] N-butylcarbamate
CID 46916518
[3-(3-carbamoylphenyl)phenyl] N-[3-(4-phenylpiperazin-1-yl)propyl]carbamate
CID 90466571
2-methyl-N,5-diphenyl-3-furamide
CID 716593
N-(4-methoxyphenyl)-2-methyl-5-phenylfuran-3-carboxamide
CID 882779
2-methyl-N-[4-[methyl-[4-methyl-2-[6-(4-methylpiperazin-1-yl)-6-oxohexoxy]phenyl]carbamoyl]phenyl]furan-3-carboxamide
CID 44314222
Cyclohexyl-carbamic acid 3-(4-carbamoyl-5-methyl-furan-2-yl)-phenyl ester
CID 46916562
[3-(3-carbamoyl-5-methylfuran-2-yl)phenyl] N-cyclohexylcarbamate
CID 46916564

Frequently Asked Questions

What is the IUPAC name of [3-(3-carbamoyl-5-methylfuran-2-yl)phenyl] N-[3-(4-phenylpiperazin-1-yl)propyl]carbamate?
The IUPAC name of [3-(3-carbamoyl-5-methylfuran-2-yl)phenyl] N-[3-(4-phenylpiperazin-1-yl)propyl]carbamate (CID 155550192) is [3-(3-carbamoyl-5-methylfuran-2-yl)phenyl] N-[3-(4-phenylpiperazin-1-yl)propyl]carbamate.
What is the SMILES notation for [3-(3-carbamoyl-5-methylfuran-2-yl)phenyl] N-[3-(4-phenylpiperazin-1-yl)propyl]carbamate?
The canonical SMILES for [3-(3-carbamoyl-5-methylfuran-2-yl)phenyl] N-[3-(4-phenylpiperazin-1-yl)propyl]carbamate is Cc1cc(C(N)=O)c(-c2cccc(OC(=O)NCCCN3CCN(c4ccccc4)CC3)c2)o1.
What is the InChIKey of [3-(3-carbamoyl-5-methylfuran-2-yl)phenyl] N-[3-(4-phenylpiperazin-1-yl)propyl]carbamate?
The InChIKey is RZBBQNAIKHGIFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O4/c1-19-17-23(25(27)31)24(33-19)20-7-5-10-22(18-20)34-26(32)28-11-6-12-29-13-15-30(16-14-29)21-8-3-2-4-9-21/h2-5,7-10,17-18H,6,11-16H2,1H3,(H2,27,31)(H,28,32).
What are the key properties of [3-(3-carbamoyl-5-methylfuran-2-yl)phenyl] N-[3-(4-phenylpiperazin-1-yl)propyl]carbamate?
[3-(3-carbamoyl-5-methylfuran-2-yl)phenyl] N-[3-(4-phenylpiperazin-1-yl)propyl]carbamate has a molecular weight of 462.55 g/mol, XLogP of 3.65, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-carbamoyl-5-methylfuran-2-yl)phenyl] N-[3-(4-phenylpiperazin-1-yl)propyl]carbamate is sourced from PubChem (CID 155550192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).