furan-2-ylmethyl-[(2S)-1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl]azanium

C21H23N2O3+ — CID 9466817

IUPACfuran-2-ylmethyl-[(2S)-1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl]azanium
SMILESC[C@H]([NH2+]Cc1ccco1)C(=O)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C21H22N2O3/c1-16(22-14-20-8-5-13-25-20)21(24)23-18-9-11-19(12-10-18)26-15-17-6-3-2-4-7-17/h2-13,16,22H,14-15H2,1H3,(H,23,24)/p+1/t16-/m0/s1
InChIKeyNILFEDOGLZEEKG-INIZCTEOSA-O
MW351.43 g/mol
LogP2.95
Rot. Bonds8

About furan-2-ylmethyl-[(2S)-1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl]azanium

furan-2-ylmethyl-[(2S)-1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl]azanium (PubChem CID 9466817) has the molecular formula C21H23N2O3+ and a molecular weight of 351.43 g/mol. Its IUPAC name is furan-2-ylmethyl-[(2S)-1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl]azanium.

Molecular Properties

Compound Namefuran-2-ylmethyl-[(2S)-1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl]azanium
PubChem CID9466817
Molecular FormulaC21H23N2O3+
Molecular Weight351.43 g/mol
Exact Mass351.17
IUPAC Namefuran-2-ylmethyl-[(2S)-1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl]azanium
SMILESC[C@H]([NH2+]Cc1ccco1)C(=O)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C21H22N2O3/c1-16(22-14-20-8-5-13-25-20)21(24)23-18-9-11-19(12-10-18)26-15-17-6-3-2-4-7-17/h2-13,16,22H,14-15H2,1H3,(H,23,24)/p+1/t16-/m0/s1
InChIKeyNILFEDOGLZEEKG-INIZCTEOSA-O
XLogP2.95
TPSA68.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(2S)-1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl]sulfanyl-N-(4-phenylmethoxyphenyl)propanamide
CID 98384376
cyclooctyl-[(2S)-1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl]azanium
CID 2317950
(2S)-2-(4-chlorophenoxy)-N-(4-phenylmethoxyphenyl)propanamide
CID 9233741
2-amino-N-(4-phenylmethoxyphenyl)pentanamide;hydrochloride
CID 119261538
2-(carbamoylamino)-N-(4-phenylmethoxyphenyl)propanamide
CID 4638854
[(2R)-1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl] benzoate
CID 7514975
1-(4-phenylmethoxyphenyl)-3-propan-2-ylurea
CID 110755142
N-[4-(dimethylamino)phenyl]-2-(4-phenylmethoxyanilino)propanamide
CID 154774074
1-[4-[(4-chlorophenyl)methoxy]phenyl]-3-(furan-2-ylmethyl)urea
CID 108988736
benzyl-[(2S)-1-(4-tert-butylanilino)-1-oxopropan-2-yl]azanium
CID 2533830
1-(furan-2-ylmethyl)-5-oxo-N-(4-phenylmethoxyphenyl)pyrrolidine-3-carboxamide
CID 42653905
2-phenoxy-N-(4-phenylmethoxyphenyl)butanamide
CID 2944488

Frequently Asked Questions

What is the IUPAC name of furan-2-ylmethyl-[(2S)-1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl]azanium?
The IUPAC name of furan-2-ylmethyl-[(2S)-1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl]azanium (CID 9466817) is furan-2-ylmethyl-[(2S)-1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl]azanium.
What is the SMILES notation for furan-2-ylmethyl-[(2S)-1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl]azanium?
The canonical SMILES for furan-2-ylmethyl-[(2S)-1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl]azanium is C[C@H]([NH2+]Cc1ccco1)C(=O)Nc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of furan-2-ylmethyl-[(2S)-1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl]azanium?
The InChIKey is NILFEDOGLZEEKG-INIZCTEOSA-O. The full InChI is InChI=1S/C21H22N2O3/c1-16(22-14-20-8-5-13-25-20)21(24)23-18-9-11-19(12-10-18)26-15-17-6-3-2-4-7-17/h2-13,16,22H,14-15H2,1H3,(H,23,24)/p+1/t16-/m0/s1.
What are the key properties of furan-2-ylmethyl-[(2S)-1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl]azanium?
furan-2-ylmethyl-[(2S)-1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl]azanium has a molecular weight of 351.43 g/mol, XLogP of 2.95, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-ylmethyl-[(2S)-1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl]azanium is sourced from PubChem (CID 9466817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).