N-[2-[[(2R)-2-phenylbutanoyl]amino]phenyl]furan-2-carboxamide

C21H20N2O3 — CID 839587

IUPACN-[2-[[(2R)-2-phenylbutanoyl]amino]phenyl]furan-2-carboxamide
SMILESCC[C@@H](C(=O)Nc1ccccc1NC(=O)c1ccco1)c1ccccc1
InChIInChI=1S/C21H20N2O3/c1-2-16(15-9-4-3-5-10-15)20(24)22-17-11-6-7-12-18(17)23-21(25)19-13-8-14-26-19/h3-14,16H,2H2,1H3,(H,22,24)(H,23,25)/t16-/m1/s1
InChIKeyUTDKDTBADHFDLJ-MRXNPFEDSA-N
MW348.40 g/mol
LogP4.66
Rot. Bonds6

About N-[2-[[(2R)-2-phenylbutanoyl]amino]phenyl]furan-2-carboxamide

N-[2-[[(2R)-2-phenylbutanoyl]amino]phenyl]furan-2-carboxamide (PubChem CID 839587) has the molecular formula C21H20N2O3 and a molecular weight of 348.40 g/mol. Its IUPAC name is N-[2-[[(2R)-2-phenylbutanoyl]amino]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[(2R)-2-phenylbutanoyl]amino]phenyl]furan-2-carboxamide
PubChem CID839587
Molecular FormulaC21H20N2O3
Molecular Weight348.40 g/mol
Exact Mass348.15
IUPAC NameN-[2-[[(2R)-2-phenylbutanoyl]amino]phenyl]furan-2-carboxamide
SMILESCC[C@@H](C(=O)Nc1ccccc1NC(=O)c1ccco1)c1ccccc1
InChIInChI=1S/C21H20N2O3/c1-2-16(15-9-4-3-5-10-15)20(24)22-17-11-6-7-12-18(17)23-21(25)19-13-8-14-26-19/h3-14,16H,2H2,1H3,(H,22,24)(H,23,25)/t16-/m1/s1
InChIKeyUTDKDTBADHFDLJ-MRXNPFEDSA-N
XLogP4.66
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-phenylbutanoylamino)ethyl]furan-2-carboxamide
CID 42891707
N-(2-ethylphenyl)furan-2-carboxamide
CID 763274
N-[2-[(2R)-butan-2-yl]phenyl]furan-2-carboxamide
CID 959679
N-[2-(2-phenoxypropanoylamino)phenyl]furan-2-carboxamide
CID 2993584
(2R)-N-(2-fluorophenyl)-2-phenylbutanamide
CID 7313846
N-(2-fluorophenyl)-2-phenylbutanamide
CID 3897268
(2R)-2-phenyl-N-(2-phenylphenyl)butanamide
CID 1328236
2-[[(2R)-2-phenylbutanoyl]amino]benzoate
CID 6957947
(2S)-N-(furan-2-ylmethyl)-2-phenylbutanamide
CID 40538690
N-[2-[(2-phenylsulfanylacetyl)amino]phenyl]furan-2-carboxamide
CID 2993149
N-(2-hydroxyphenyl)furan-2-carboxamide
CID 761889
N-[2-[(2-aminoacetyl)amino]phenyl]furan-2-carboxamide
CID 39184130

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(2R)-2-phenylbutanoyl]amino]phenyl]furan-2-carboxamide?
The IUPAC name of N-[2-[[(2R)-2-phenylbutanoyl]amino]phenyl]furan-2-carboxamide (CID 839587) is N-[2-[[(2R)-2-phenylbutanoyl]amino]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[[(2R)-2-phenylbutanoyl]amino]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[[(2R)-2-phenylbutanoyl]amino]phenyl]furan-2-carboxamide is CC[C@@H](C(=O)Nc1ccccc1NC(=O)c1ccco1)c1ccccc1.
What is the InChIKey of N-[2-[[(2R)-2-phenylbutanoyl]amino]phenyl]furan-2-carboxamide?
The InChIKey is UTDKDTBADHFDLJ-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H20N2O3/c1-2-16(15-9-4-3-5-10-15)20(24)22-17-11-6-7-12-18(17)23-21(25)19-13-8-14-26-19/h3-14,16H,2H2,1H3,(H,22,24)(H,23,25)/t16-/m1/s1.
What are the key properties of N-[2-[[(2R)-2-phenylbutanoyl]amino]phenyl]furan-2-carboxamide?
N-[2-[[(2R)-2-phenylbutanoyl]amino]phenyl]furan-2-carboxamide has a molecular weight of 348.40 g/mol, XLogP of 4.66, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(2R)-2-phenylbutanoyl]amino]phenyl]furan-2-carboxamide is sourced from PubChem (CID 839587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).