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

C21H21N3O4 — CID 24901629

IUPAC(2S)-2-amino-N'-[4-[4-(furan-3-yl)phenoxy]phenyl]pentanediamide
SMILESNC(=O)[C@@H](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)/t19-/m0/s1
InChIKeyLYOSKDSEWRJQAH-IBGZPJMESA-N
MW379.42 g/mol
LogP3.27
Rot. Bonds8

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

(2S)-2-amino-N'-[4-[4-(furan-3-yl)phenoxy]phenyl]pentanediamide (PubChem CID 24901629) has the molecular formula C21H21N3O4 and a molecular weight of 379.42 g/mol. Its IUPAC name is (2S)-2-amino-N'-[4-[4-(furan-3-yl)phenoxy]phenyl]pentanediamide.

Molecular Properties

Compound Name(2S)-2-amino-N'-[4-[4-(furan-3-yl)phenoxy]phenyl]pentanediamide
PubChem CID24901629
Molecular FormulaC21H21N3O4
Molecular Weight379.42 g/mol
Exact Mass379.15
IUPAC Name(2S)-2-amino-N'-[4-[4-(furan-3-yl)phenoxy]phenyl]pentanediamide
SMILESNC(=O)[C@@H](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)/t19-/m0/s1
InChIKeyLYOSKDSEWRJQAH-IBGZPJMESA-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

JW 55
CID 2946601
Arylaminoethyl amide deriv. 18
CID 11305867
4-(furan-2-yl)-2-methyl-5-oxo-N-(o-tolyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide
CID 11646235
(2S)-3-(4-methoxyphenyl)-N-{2-[(4-methoxyphenyl)amino]ethyl}-2-[(3-methylphenyl)formamido]propanamide
CID 23648322
4-(2-furyl)-2,6-dimethyl-N3,N5-diphenyl-1,4-dihydropyridine-3,5-dicarboxamide
CID 21716122
(2S)-2-amino-N'-(4-phenylmethoxyphenyl)pentanediamide
CID 24901607
(2S)-2-amino-N-[4-(benzyloxy)phenyl]-N''-hydroxypentanediamide
CID 24901608
(2S)-2-amino-N-[4-(4-methylphenoxy)phenyl]pentanediamide
CID 24901627
(2-anilino-2-oxoethyl) (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 2645969
N-[4-(benzyloxy)phenyl]benzamide
CID 732389
methyl N-[3-(2-benzamidoethyl)-1-benzofuran-5-yl]carbamate
CID 17956992
(2S)-3-(furan-2-yl)-N-{2-[(4-methoxyphenyl)amino]ethyl}-2-[(3-methylphenyl)formamido]propanamide
CID 23648326

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N'-[4-[4-(furan-3-yl)phenoxy]phenyl]pentanediamide?
The IUPAC name of (2S)-2-amino-N'-[4-[4-(furan-3-yl)phenoxy]phenyl]pentanediamide (CID 24901629) is (2S)-2-amino-N'-[4-[4-(furan-3-yl)phenoxy]phenyl]pentanediamide.
What is the SMILES notation for (2S)-2-amino-N'-[4-[4-(furan-3-yl)phenoxy]phenyl]pentanediamide?
The canonical SMILES for (2S)-2-amino-N'-[4-[4-(furan-3-yl)phenoxy]phenyl]pentanediamide is NC(=O)[C@@H](N)CCC(=O)Nc1ccc(Oc2ccc(-c3ccoc3)cc2)cc1.
What is the InChIKey of (2S)-2-amino-N'-[4-[4-(furan-3-yl)phenoxy]phenyl]pentanediamide?
The InChIKey is LYOSKDSEWRJQAH-IBGZPJMESA-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)/t19-/m0/s1.
What are the key properties of (2S)-2-amino-N'-[4-[4-(furan-3-yl)phenoxy]phenyl]pentanediamide?
(2S)-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 (2S)-2-amino-N'-[4-[4-(furan-3-yl)phenoxy]phenyl]pentanediamide is sourced from PubChem (CID 24901629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).