(2S)-N-(4-cyanophenyl)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]propanamide

C21H19N3O2 — CID 8755490

IUPAC(2S)-N-(4-cyanophenyl)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]propanamide
SMILESC[C@H](N[C@H](c1ccccc1)c1ccco1)C(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C21H19N3O2/c1-15(21(25)24-18-11-9-16(14-22)10-12-18)23-20(19-8-5-13-26-19)17-6-3-2-4-7-17/h2-13,15,20,23H,1H3,(H,24,25)/t15-,20+/m0/s1
InChIKeyYKPZMKNAVDQRRV-MGPUTAFESA-N
MW345.40 g/mol
LogP3.86
Rot. Bonds6

About (2S)-N-(4-cyanophenyl)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]propanamide

(2S)-N-(4-cyanophenyl)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]propanamide (PubChem CID 8755490) has the molecular formula C21H19N3O2 and a molecular weight of 345.40 g/mol. Its IUPAC name is (2S)-N-(4-cyanophenyl)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]propanamide.

Molecular Properties

Compound Name(2S)-N-(4-cyanophenyl)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]propanamide
PubChem CID8755490
Molecular FormulaC21H19N3O2
Molecular Weight345.40 g/mol
Exact Mass345.15
IUPAC Name(2S)-N-(4-cyanophenyl)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]propanamide
SMILESC[C@H](N[C@H](c1ccccc1)c1ccco1)C(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C21H19N3O2/c1-15(21(25)24-18-11-9-16(14-22)10-12-18)23-20(19-8-5-13-26-19)17-6-3-2-4-7-17/h2-13,15,20,23H,1H3,(H,24,25)/t15-,20+/m0/s1
InChIKeyYKPZMKNAVDQRRV-MGPUTAFESA-N
XLogP3.86
TPSA78.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(3-cyanophenyl)-2-[[(S)-furan-2-yl(phenyl)methyl]amino]propanamide
CID 8755318
(2R)-N-(4-chlorophenyl)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]propanamide
CID 8755484
(2R)-N-(4-chlorophenyl)-2-[[(S)-furan-2-yl(phenyl)methyl]amino]propanamide
CID 8755480
(2S)-N-(4-chlorophenyl)-2-[[(S)-furan-2-yl(phenyl)methyl]amino]propanamide
CID 8755478
(2S)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 8755382
(2R)-N-(1,3-benzodioxol-5-yl)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]propanamide
CID 8755316
(2S)-2-[[(S)-furan-2-yl(phenyl)methyl]amino]-N-(2-phenylphenyl)propanamide
CID 8755326
(2S)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]-N-(4-methylphenyl)-2-phenylacetamide
CID 8755134
(2S)-N-(4-fluorophenyl)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]-2-phenylacetamide
CID 8755424
(2S)-N-(2-chloro-4-fluorophenyl)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]propanamide
CID 8755176
(2R)-N-(4-cyanophenyl)-2-[[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]amino]propanamide
CID 8769334
3-(4-cyanophenyl)-1-[1-(furan-2-yl)ethyl]-1-methylurea
CID 87013122

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-cyanophenyl)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]propanamide?
The IUPAC name of (2S)-N-(4-cyanophenyl)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]propanamide (CID 8755490) is (2S)-N-(4-cyanophenyl)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]propanamide.
What is the SMILES notation for (2S)-N-(4-cyanophenyl)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]propanamide?
The canonical SMILES for (2S)-N-(4-cyanophenyl)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]propanamide is C[C@H](N[C@H](c1ccccc1)c1ccco1)C(=O)Nc1ccc(C#N)cc1.
What is the InChIKey of (2S)-N-(4-cyanophenyl)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]propanamide?
The InChIKey is YKPZMKNAVDQRRV-MGPUTAFESA-N. The full InChI is InChI=1S/C21H19N3O2/c1-15(21(25)24-18-11-9-16(14-22)10-12-18)23-20(19-8-5-13-26-19)17-6-3-2-4-7-17/h2-13,15,20,23H,1H3,(H,24,25)/t15-,20+/m0/s1.
What are the key properties of (2S)-N-(4-cyanophenyl)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]propanamide?
(2S)-N-(4-cyanophenyl)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]propanamide has a molecular weight of 345.40 g/mol, XLogP of 3.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-cyanophenyl)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]propanamide is sourced from PubChem (CID 8755490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).