N-[4-[[2-(furan-2-ylmethylamino)acetyl]amino]phenyl]butanamide

C17H21N3O3 — CID 54818705

IUPACN-[4-[[2-(furan-2-ylmethylamino)acetyl]amino]phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(NC(=O)CNCc2ccco2)cc1
InChIInChI=1S/C17H21N3O3/c1-2-4-16(21)19-13-6-8-14(9-7-13)20-17(22)12-18-11-15-5-3-10-23-15/h3,5-10,18H,2,4,11-12H2,1H3,(H,19,21)(H,20,22)
InChIKeyZALRCZLLCHCGEW-UHFFFAOYSA-N
MW315.37 g/mol
LogP2.75
Rot. Bonds8

About N-[4-[[2-(furan-2-ylmethylamino)acetyl]amino]phenyl]butanamide

N-[4-[[2-(furan-2-ylmethylamino)acetyl]amino]phenyl]butanamide (PubChem CID 54818705) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is N-[4-[[2-(furan-2-ylmethylamino)acetyl]amino]phenyl]butanamide.

Molecular Properties

Compound NameN-[4-[[2-(furan-2-ylmethylamino)acetyl]amino]phenyl]butanamide
PubChem CID54818705
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC NameN-[4-[[2-(furan-2-ylmethylamino)acetyl]amino]phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(NC(=O)CNCc2ccco2)cc1
InChIInChI=1S/C17H21N3O3/c1-2-4-16(21)19-13-6-8-14(9-7-13)20-17(22)12-18-11-15-5-3-10-23-15/h3,5-10,18H,2,4,11-12H2,1H3,(H,19,21)(H,20,22)
InChIKeyZALRCZLLCHCGEW-UHFFFAOYSA-N
XLogP2.75
TPSA83.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(dimethylamino)phenyl]-2-(furan-2-ylmethylamino)acetamide
CID 54773447
2-(furan-2-ylmethylamino)-N-(4-heptoxyphenyl)acetamide
CID 54818809
3-[[2-[4-(butanoylamino)anilino]-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 54834580
2-(furan-2-ylmethylamino)-N-[4-(2-phenoxyethoxy)phenyl]acetamide
CID 54818844
N-[4-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]phenyl]propanamide
CID 54835371
2-(furan-2-ylmethylamino)-N-(3-methoxyphenyl)acetamide
CID 1133386
4-[[2-(furan-2-ylmethylamino)acetyl]amino]-N-(3-methoxypropyl)benzamide
CID 54818743
2-(furan-2-ylmethylamino)-N-pentylacetamide
CID 108996263
2-(furan-2-ylmethylamino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 9466798
N-(furan-2-ylmethyl)-4-(heptanoylamino)benzamide
CID 54789414
N-[4-(butanoylamino)phenyl]butanamide;ethane
CID 166169399
N-(furan-2-ylmethyl)-3-[[2-(furan-2-ylmethylamino)acetyl]amino]benzamide
CID 54818637

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(furan-2-ylmethylamino)acetyl]amino]phenyl]butanamide?
The IUPAC name of N-[4-[[2-(furan-2-ylmethylamino)acetyl]amino]phenyl]butanamide (CID 54818705) is N-[4-[[2-(furan-2-ylmethylamino)acetyl]amino]phenyl]butanamide.
What is the SMILES notation for N-[4-[[2-(furan-2-ylmethylamino)acetyl]amino]phenyl]butanamide?
The canonical SMILES for N-[4-[[2-(furan-2-ylmethylamino)acetyl]amino]phenyl]butanamide is CCCC(=O)Nc1ccc(NC(=O)CNCc2ccco2)cc1.
What is the InChIKey of N-[4-[[2-(furan-2-ylmethylamino)acetyl]amino]phenyl]butanamide?
The InChIKey is ZALRCZLLCHCGEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-2-4-16(21)19-13-6-8-14(9-7-13)20-17(22)12-18-11-15-5-3-10-23-15/h3,5-10,18H,2,4,11-12H2,1H3,(H,19,21)(H,20,22).
What are the key properties of N-[4-[[2-(furan-2-ylmethylamino)acetyl]amino]phenyl]butanamide?
N-[4-[[2-(furan-2-ylmethylamino)acetyl]amino]phenyl]butanamide has a molecular weight of 315.37 g/mol, XLogP of 2.75, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(furan-2-ylmethylamino)acetyl]amino]phenyl]butanamide is sourced from PubChem (CID 54818705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).