N-[3-[[2-(heptylamino)acetyl]amino]phenyl]furan-2-carboxamide

C20H27N3O3 — CID 54814790

IUPACN-[3-[[2-(heptylamino)acetyl]amino]phenyl]furan-2-carboxamide
SMILESCCCCCCCNCC(=O)Nc1cccc(NC(=O)c2ccco2)c1
InChIInChI=1S/C20H27N3O3/c1-2-3-4-5-6-12-21-15-19(24)22-16-9-7-10-17(14-16)23-20(25)18-11-8-13-26-18/h7-11,13-14,21H,2-6,12,15H2,1H3,(H,22,24)(H,23,25)
InChIKeyCBSZMRIIGVXFFI-UHFFFAOYSA-N
MW357.45 g/mol
LogP4.03
Rot. Bonds11

About N-[3-[[2-(heptylamino)acetyl]amino]phenyl]furan-2-carboxamide

N-[3-[[2-(heptylamino)acetyl]amino]phenyl]furan-2-carboxamide (PubChem CID 54814790) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is N-[3-[[2-(heptylamino)acetyl]amino]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[[2-(heptylamino)acetyl]amino]phenyl]furan-2-carboxamide
PubChem CID54814790
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC NameN-[3-[[2-(heptylamino)acetyl]amino]phenyl]furan-2-carboxamide
SMILESCCCCCCCNCC(=O)Nc1cccc(NC(=O)c2ccco2)c1
InChIInChI=1S/C20H27N3O3/c1-2-3-4-5-6-12-21-15-19(24)22-16-9-7-10-17(14-16)23-20(25)18-11-8-13-26-18/h7-11,13-14,21H,2-6,12,15H2,1H3,(H,22,24)(H,23,25)
InChIKeyCBSZMRIIGVXFFI-UHFFFAOYSA-N
XLogP4.03
TPSA83.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 54.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[[2-(3-heptoxyanilino)-2-oxoethyl]amino]phenyl]furan-2-carboxamide
CID 54843293
N-[3-[[2-(butylamino)-2-oxoethyl]amino]phenyl]furan-2-carboxamide
CID 54843687
N-(3-chlorophenyl)-2-(hexadecylamino)acetamide
CID 54809142
N-(3-chlorophenyl)-2-(octylamino)acetamide
CID 78914396
N-(3-fluorophenyl)-2-(octylamino)acetamide
CID 78914397
N-[3-[[2-(butylamino)acetyl]amino]phenyl]benzamide
CID 54815494
N-[3-[[2-(diethylamino)acetyl]amino]phenyl]furan-2-carboxamide
CID 54813683
3-[[2-(hexadecylamino)acetyl]amino]-N-propylbenzamide
CID 54808714
N-butyl-3-[[2-(heptylamino)acetyl]amino]benzamide
CID 54814616
3-[[2-(butylamino)acetyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 54815739
N-[3-[[(N'-methyl-N-pentylcarbamimidoyl)amino]methyl]phenyl]furan-2-carboxamide
CID 111128629
2-(heptylamino)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 54814618

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(heptylamino)acetyl]amino]phenyl]furan-2-carboxamide?
The IUPAC name of N-[3-[[2-(heptylamino)acetyl]amino]phenyl]furan-2-carboxamide (CID 54814790) is N-[3-[[2-(heptylamino)acetyl]amino]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[[2-(heptylamino)acetyl]amino]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[[2-(heptylamino)acetyl]amino]phenyl]furan-2-carboxamide is CCCCCCCNCC(=O)Nc1cccc(NC(=O)c2ccco2)c1.
What is the InChIKey of N-[3-[[2-(heptylamino)acetyl]amino]phenyl]furan-2-carboxamide?
The InChIKey is CBSZMRIIGVXFFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3/c1-2-3-4-5-6-12-21-15-19(24)22-16-9-7-10-17(14-16)23-20(25)18-11-8-13-26-18/h7-11,13-14,21H,2-6,12,15H2,1H3,(H,22,24)(H,23,25).
What are the key properties of N-[3-[[2-(heptylamino)acetyl]amino]phenyl]furan-2-carboxamide?
N-[3-[[2-(heptylamino)acetyl]amino]phenyl]furan-2-carboxamide has a molecular weight of 357.45 g/mol, XLogP of 4.03, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(heptylamino)acetyl]amino]phenyl]furan-2-carboxamide is sourced from PubChem (CID 54814790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).