N-[3-[[2-(azepan-4-yl)acetyl]amino]phenyl]furan-3-carboxamide

C19H23N3O3 — CID 167785851

IUPACN-[3-[[2-(azepan-4-yl)acetyl]amino]phenyl]furan-3-carboxamide
SMILESO=C(CC1CCCNCC1)Nc1cccc(NC(=O)c2ccoc2)c1
InChIInChI=1S/C19H23N3O3/c23-18(11-14-3-2-8-20-9-6-14)21-16-4-1-5-17(12-16)22-19(24)15-7-10-25-13-15/h1,4-5,7,10,12-14,20H,2-3,6,8-9,11H2,(H,21,23)(H,22,24)
InChIKeyVREDCDTXQHFKFJ-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.25
Rot. Bonds5

About N-[3-[[2-(azepan-4-yl)acetyl]amino]phenyl]furan-3-carboxamide

N-[3-[[2-(azepan-4-yl)acetyl]amino]phenyl]furan-3-carboxamide (PubChem CID 167785851) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is N-[3-[[2-(azepan-4-yl)acetyl]amino]phenyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[3-[[2-(azepan-4-yl)acetyl]amino]phenyl]furan-3-carboxamide
PubChem CID167785851
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC NameN-[3-[[2-(azepan-4-yl)acetyl]amino]phenyl]furan-3-carboxamide
SMILESO=C(CC1CCCNCC1)Nc1cccc(NC(=O)c2ccoc2)c1
InChIInChI=1S/C19H23N3O3/c23-18(11-14-3-2-8-20-9-6-14)21-16-4-1-5-17(12-16)22-19(24)15-7-10-25-13-15/h1,4-5,7,10,12-14,20H,2-3,6,8-9,11H2,(H,21,23)(H,22,24)
InChIKeyVREDCDTXQHFKFJ-UHFFFAOYSA-N
XLogP3.25
TPSA83.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[(2-cyclopentylacetyl)amino]phenyl]benzamide
CID 54786112
N-[3-[(2-thiomorpholin-3-ylacetyl)amino]phenyl]furan-3-carboxamide
CID 119938258
2-piperidin-4-yl-N-(3-pyrrolidin-1-ylphenyl)acetamide
CID 61030185
N-(3-aminophenyl)furan-3-carboxamide
CID 16774426
4-[[3-(furan-3-carbonylamino)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120673294
N-(3-nitrophenyl)-2-piperidin-4-ylacetamide
CID 119670753
N-[3-[(3-aminocyclopentanecarbonyl)amino]phenyl]furan-3-carboxamide
CID 119761839
N-[4-[(2-piperidin-4-ylacetyl)amino]phenyl]furan-2-carboxamide;hydrochloride
CID 119700778
N-(3-methylphenyl)furan-3-carboxamide
CID 27007768
N-[3-(oxan-4-ylsulfanylmethyl)phenyl]furan-3-carboxamide
CID 71875712
N-[3-(2-methoxyethoxy)phenyl]-2-piperidin-3-ylacetamide
CID 62675255
3-[(2-cycloheptylacetyl)amino]benzoic acid
CID 115909872

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(azepan-4-yl)acetyl]amino]phenyl]furan-3-carboxamide?
The IUPAC name of N-[3-[[2-(azepan-4-yl)acetyl]amino]phenyl]furan-3-carboxamide (CID 167785851) is N-[3-[[2-(azepan-4-yl)acetyl]amino]phenyl]furan-3-carboxamide.
What is the SMILES notation for N-[3-[[2-(azepan-4-yl)acetyl]amino]phenyl]furan-3-carboxamide?
The canonical SMILES for N-[3-[[2-(azepan-4-yl)acetyl]amino]phenyl]furan-3-carboxamide is O=C(CC1CCCNCC1)Nc1cccc(NC(=O)c2ccoc2)c1.
What is the InChIKey of N-[3-[[2-(azepan-4-yl)acetyl]amino]phenyl]furan-3-carboxamide?
The InChIKey is VREDCDTXQHFKFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c23-18(11-14-3-2-8-20-9-6-14)21-16-4-1-5-17(12-16)22-19(24)15-7-10-25-13-15/h1,4-5,7,10,12-14,20H,2-3,6,8-9,11H2,(H,21,23)(H,22,24).
What are the key properties of N-[3-[[2-(azepan-4-yl)acetyl]amino]phenyl]furan-3-carboxamide?
N-[3-[[2-(azepan-4-yl)acetyl]amino]phenyl]furan-3-carboxamide has a molecular weight of 341.41 g/mol, XLogP of 3.25, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(azepan-4-yl)acetyl]amino]phenyl]furan-3-carboxamide is sourced from PubChem (CID 167785851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).