2-amino-N'-[4-[4-(furan-3-yl)phenoxy]phenyl]pentanediamide

C21H21N3O4 — CID 74349720

IUPAC2-amino-N'-[4-[4-(furan-3-yl)phenoxy]phenyl]pentanediamide
SMILESNC(=O)C(N)CCC(=O)Nc1ccc(Oc2ccc(-c3ccoc3)cc2)cc1
InChIInChI=1S/C21H21N3O4/c22-19(21(23)26)9-10-20(25)24-16-3-7-18(8-4-16)28-17-5-1-14(2-6-17)15-11-12-27-13-15/h1-8,11-13,19H,9-10,22H2,(H2,23,26)(H,24,25)
InChIKeyLYOSKDSEWRJQAH-UHFFFAOYSA-N
MW379.42 g/mol
LogP3.27
Rot. Bonds8

About 2-amino-N'-[4-[4-(furan-3-yl)phenoxy]phenyl]pentanediamide

2-amino-N'-[4-[4-(furan-3-yl)phenoxy]phenyl]pentanediamide (PubChem CID 74349720) has the molecular formula C21H21N3O4 and a molecular weight of 379.42 g/mol. Its IUPAC name is 2-amino-N'-[4-[4-(furan-3-yl)phenoxy]phenyl]pentanediamide.

Molecular Properties

Compound Name2-amino-N'-[4-[4-(furan-3-yl)phenoxy]phenyl]pentanediamide
PubChem CID74349720
Molecular FormulaC21H21N3O4
Molecular Weight379.42 g/mol
Exact Mass379.15
IUPAC Name2-amino-N'-[4-[4-(furan-3-yl)phenoxy]phenyl]pentanediamide
SMILESNC(=O)C(N)CCC(=O)Nc1ccc(Oc2ccc(-c3ccoc3)cc2)cc1
InChIInChI=1S/C21H21N3O4/c22-19(21(23)26)9-10-20(25)24-16-3-7-18(8-4-16)28-17-5-1-14(2-6-17)15-11-12-27-13-15/h1-8,11-13,19H,9-10,22H2,(H2,23,26)(H,24,25)
InChIKeyLYOSKDSEWRJQAH-UHFFFAOYSA-N
XLogP3.27
TPSA120.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 53.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-amino-N'-[4-(3-methylphenoxy)phenyl]pentanediamide
CID 24901626
methyl (2S)-2-amino-5-oxo-5-[4-(4-pyrrol-1-ylphenoxy)anilino]pentanoate
CID 138657696
4,5-diamino-N-(4-phenoxyphenyl)pentanamide
CID 74349728
3-amino-6-oxo-6-(4-phenoxyanilino)hexanoic acid
CID 74349721
[4-[[(4R)-4,5-diamino-5-oxopentanoyl]amino]phenyl] 2-(trimethylazaniumyl)ethyl phosphate
CID 172539162
5-amino-N-[4-(carbamoylamino)phenyl]hexanamide
CID 82848160
3-chloro-N-[4-(4-methylphenoxy)phenyl]propanamide
CID 43168007
(2S)-2-amino-5-(4-fluoroanilino)-5-oxopentanoic acid
CID 101158514
N'-(4-propan-2-yloxyphenyl)butanediamide
CID 94268902
5-amino-N-[4-(trifluoromethoxy)phenyl]hexanamide
CID 82848288
3-amino-N-[4-(4-ethoxyphenoxy)phenyl]butanamide
CID 119680037
N,N'-bis(4-propan-2-yloxyphenyl)butanediamide
CID 17340345

Frequently Asked Questions

What is the IUPAC name of 2-amino-N'-[4-[4-(furan-3-yl)phenoxy]phenyl]pentanediamide?
The IUPAC name of 2-amino-N'-[4-[4-(furan-3-yl)phenoxy]phenyl]pentanediamide (CID 74349720) is 2-amino-N'-[4-[4-(furan-3-yl)phenoxy]phenyl]pentanediamide.
What is the SMILES notation for 2-amino-N'-[4-[4-(furan-3-yl)phenoxy]phenyl]pentanediamide?
The canonical SMILES for 2-amino-N'-[4-[4-(furan-3-yl)phenoxy]phenyl]pentanediamide is NC(=O)C(N)CCC(=O)Nc1ccc(Oc2ccc(-c3ccoc3)cc2)cc1.
What is the InChIKey of 2-amino-N'-[4-[4-(furan-3-yl)phenoxy]phenyl]pentanediamide?
The InChIKey is LYOSKDSEWRJQAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O4/c22-19(21(23)26)9-10-20(25)24-16-3-7-18(8-4-16)28-17-5-1-14(2-6-17)15-11-12-27-13-15/h1-8,11-13,19H,9-10,22H2,(H2,23,26)(H,24,25).
What are the key properties of 2-amino-N'-[4-[4-(furan-3-yl)phenoxy]phenyl]pentanediamide?
2-amino-N'-[4-[4-(furan-3-yl)phenoxy]phenyl]pentanediamide has a molecular weight of 379.42 g/mol, XLogP of 3.27, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N'-[4-[4-(furan-3-yl)phenoxy]phenyl]pentanediamide is sourced from PubChem (CID 74349720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).