N-[3-[C-methyl-N-(undecanoylamino)carbonimidoyl]phenyl]furan-2-carboxamide

C24H33N3O3 — CID 4999715

IUPACN-[3-[C-methyl-N-(undecanoylamino)carbonimidoyl]phenyl]furan-2-carboxamide
SMILESCCCCCCCCCCC(=O)NN=C(C)c1cccc(NC(=O)c2ccco2)c1
InChIInChI=1S/C24H33N3O3/c1-3-4-5-6-7-8-9-10-16-23(28)27-26-19(2)20-13-11-14-21(18-20)25-24(29)22-15-12-17-30-22/h11-15,17-18H,3-10,16H2,1-2H3,(H,25,29)(H,27,28)
InChIKeyQRQXYRRMLQSPIV-UHFFFAOYSA-N
MW411.55 g/mol
LogP5.90
Rot. Bonds13

About N-[3-[C-methyl-N-(undecanoylamino)carbonimidoyl]phenyl]furan-2-carboxamide

N-[3-[C-methyl-N-(undecanoylamino)carbonimidoyl]phenyl]furan-2-carboxamide (PubChem CID 4999715) has the molecular formula C24H33N3O3 and a molecular weight of 411.55 g/mol. Its IUPAC name is N-[3-[C-methyl-N-(undecanoylamino)carbonimidoyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[C-methyl-N-(undecanoylamino)carbonimidoyl]phenyl]furan-2-carboxamide
PubChem CID4999715
Molecular FormulaC24H33N3O3
Molecular Weight411.55 g/mol
Exact Mass411.25
IUPAC NameN-[3-[C-methyl-N-(undecanoylamino)carbonimidoyl]phenyl]furan-2-carboxamide
SMILESCCCCCCCCCCC(=O)NN=C(C)c1cccc(NC(=O)c2ccco2)c1
InChIInChI=1S/C24H33N3O3/c1-3-4-5-6-7-8-9-10-16-23(28)27-26-19(2)20-13-11-14-21(18-20)25-24(29)22-15-12-17-30-22/h11-15,17-18H,3-10,16H2,1-2H3,(H,25,29)(H,27,28)
InChIKeyQRQXYRRMLQSPIV-UHFFFAOYSA-N
XLogP5.90
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.55
LogP ≤ 55.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N,N'-bis[1-[3-(furan-2-carbonylamino)phenyl]ethylideneamino]pentanediamide
CID 3545367
4-chloro-N-[3-[N-(dodecanoylamino)-C-methylcarbonimidoyl]phenyl]benzamide
CID 4280709
N-[(E)-1-(furan-2-yl)ethylideneamino]undecanamide
CID 6260551
N-[1-(furan-2-yl)ethylideneamino]undecanamide
CID 5060301
N-[3-(N-benzamido-C-methylcarbonimidoyl)phenyl]furan-2-carboxamide
CID 4548216
4-[3-[(Z)-C-methyl-N-(nonanoylamino)carbonimidoyl]anilino]-4-oxobutanoic acid
CID 6261061
methyl N-[1-[3-(furan-2-carbonylamino)phenyl]ethylideneamino]carbamate
CID 3713909
N-[(E)-1-(3-bromophenyl)ethylideneamino]undecanamide
CID 19685706
N-[3-[(E)-C-methyl-N-[(3-methylbenzoyl)amino]carbonimidoyl]phenyl]furan-2-carboxamide
CID 5434357
N-[3-[(E)-N-(furan-2-carbonylamino)-C-methylcarbonimidoyl]phenyl]-5-methylfuran-2-carboxamide
CID 7308931
N-[3-[N-(dodecanoylamino)-C-methylcarbonimidoyl]phenyl]cyclohexanecarboxamide
CID 5095870
N-[(E)-1-(3-hydroxyphenyl)ethylideneamino]decanamide
CID 19685450

Frequently Asked Questions

What is the IUPAC name of N-[3-[C-methyl-N-(undecanoylamino)carbonimidoyl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[3-[C-methyl-N-(undecanoylamino)carbonimidoyl]phenyl]furan-2-carboxamide (CID 4999715) is N-[3-[C-methyl-N-(undecanoylamino)carbonimidoyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[C-methyl-N-(undecanoylamino)carbonimidoyl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[C-methyl-N-(undecanoylamino)carbonimidoyl]phenyl]furan-2-carboxamide is CCCCCCCCCCC(=O)NN=C(C)c1cccc(NC(=O)c2ccco2)c1.
What is the InChIKey of N-[3-[C-methyl-N-(undecanoylamino)carbonimidoyl]phenyl]furan-2-carboxamide?
The InChIKey is QRQXYRRMLQSPIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O3/c1-3-4-5-6-7-8-9-10-16-23(28)27-26-19(2)20-13-11-14-21(18-20)25-24(29)22-15-12-17-30-22/h11-15,17-18H,3-10,16H2,1-2H3,(H,25,29)(H,27,28).
What are the key properties of N-[3-[C-methyl-N-(undecanoylamino)carbonimidoyl]phenyl]furan-2-carboxamide?
N-[3-[C-methyl-N-(undecanoylamino)carbonimidoyl]phenyl]furan-2-carboxamide has a molecular weight of 411.55 g/mol, XLogP of 5.90, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[C-methyl-N-(undecanoylamino)carbonimidoyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 4999715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).