N-[4-[[(2R)-2-(dimethylamino)-3-phenylpropyl]carbamoyl]phenyl]furan-2-carboxamide

C23H25N3O3 — CID 40820384

IUPACN-[4-[[(2R)-2-(dimethylamino)-3-phenylpropyl]carbamoyl]phenyl]furan-2-carboxamide
SMILESCN(C)[C@@H](CNC(=O)c1ccc(NC(=O)c2ccco2)cc1)Cc1ccccc1
InChIInChI=1S/C23H25N3O3/c1-26(2)20(15-17-7-4-3-5-8-17)16-24-22(27)18-10-12-19(13-11-18)25-23(28)21-9-6-14-29-21/h3-14,20H,15-16H2,1-2H3,(H,24,27)(H,25,28)/t20-/m1/s1
InChIKeyATQSETBSHUUXOP-HXUWFJFHSA-N
MW391.47 g/mol
LogP3.43
Rot. Bonds8

About N-[4-[[(2R)-2-(dimethylamino)-3-phenylpropyl]carbamoyl]phenyl]furan-2-carboxamide

N-[4-[[(2R)-2-(dimethylamino)-3-phenylpropyl]carbamoyl]phenyl]furan-2-carboxamide (PubChem CID 40820384) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is N-[4-[[(2R)-2-(dimethylamino)-3-phenylpropyl]carbamoyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[[(2R)-2-(dimethylamino)-3-phenylpropyl]carbamoyl]phenyl]furan-2-carboxamide
PubChem CID40820384
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC NameN-[4-[[(2R)-2-(dimethylamino)-3-phenylpropyl]carbamoyl]phenyl]furan-2-carboxamide
SMILESCN(C)[C@@H](CNC(=O)c1ccc(NC(=O)c2ccco2)cc1)Cc1ccccc1
InChIInChI=1S/C23H25N3O3/c1-26(2)20(15-17-7-4-3-5-8-17)16-24-22(27)18-10-12-19(13-11-18)25-23(28)21-9-6-14-29-21/h3-14,20H,15-16H2,1-2H3,(H,24,27)(H,25,28)/t20-/m1/s1
InChIKeyATQSETBSHUUXOP-HXUWFJFHSA-N
XLogP3.43
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(2,2-diphenylethylcarbamoyl)phenyl]furan-2-carboxamide
CID 9450262
N-[2-(dimethylamino)-3-phenylpropyl]-4-(methylsulfonylmethyl)benzamide
CID 51150482
N-[4-[benzyl(ethyl)carbamoyl]phenyl]furan-2-carboxamide
CID 17399777
N-[4-[(4-acetamidophenyl)methylcarbamoyl]phenyl]furan-2-carboxamide
CID 24628897
N-[4-[(3-methyl-2-morpholin-4-ylbutyl)carbamoyl]phenyl]furan-2-carboxamide
CID 18153813
N-[4-[ethyl(phenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 2979994
N-[4-[(2-methylphenyl)methylcarbamoyl]phenyl]furan-2-carboxamide
CID 9184242
N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]furan-2-carboxamide
CID 17229741
N-[4-(furan-2-ylmethylcarbamoyl)phenyl]furan-2-carboxamide
CID 976453
N-[4-(furan-2-carbonylamino)phenyl]furan-2-carboxamide
CID 565232
2,6-dichloro-N-[2-(dimethylamino)-3-phenylpropyl]pyridine-4-carboxamide
CID 86918031
N-[2-(dimethylamino)-3-phenylpropyl]-3-iodobenzamide
CID 42907096

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(2R)-2-(dimethylamino)-3-phenylpropyl]carbamoyl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-[[(2R)-2-(dimethylamino)-3-phenylpropyl]carbamoyl]phenyl]furan-2-carboxamide (CID 40820384) is N-[4-[[(2R)-2-(dimethylamino)-3-phenylpropyl]carbamoyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[[(2R)-2-(dimethylamino)-3-phenylpropyl]carbamoyl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[[(2R)-2-(dimethylamino)-3-phenylpropyl]carbamoyl]phenyl]furan-2-carboxamide is CN(C)[C@@H](CNC(=O)c1ccc(NC(=O)c2ccco2)cc1)Cc1ccccc1.
What is the InChIKey of N-[4-[[(2R)-2-(dimethylamino)-3-phenylpropyl]carbamoyl]phenyl]furan-2-carboxamide?
The InChIKey is ATQSETBSHUUXOP-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-26(2)20(15-17-7-4-3-5-8-17)16-24-22(27)18-10-12-19(13-11-18)25-23(28)21-9-6-14-29-21/h3-14,20H,15-16H2,1-2H3,(H,24,27)(H,25,28)/t20-/m1/s1.
What are the key properties of N-[4-[[(2R)-2-(dimethylamino)-3-phenylpropyl]carbamoyl]phenyl]furan-2-carboxamide?
N-[4-[[(2R)-2-(dimethylamino)-3-phenylpropyl]carbamoyl]phenyl]furan-2-carboxamide has a molecular weight of 391.47 g/mol, XLogP of 3.43, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(2R)-2-(dimethylamino)-3-phenylpropyl]carbamoyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 40820384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).