N-ethyl-2-[4-[(2-hydroxy-2-phenylethyl)carbamoylamino]phenyl]-N-phenylacetamide

C25H27N3O3 — CID 112838540

IUPACN-ethyl-2-[4-[(2-hydroxy-2-phenylethyl)carbamoylamino]phenyl]-N-phenylacetamide
SMILESCCN(C(=O)Cc1ccc(NC(=O)NCC(O)c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C25H27N3O3/c1-2-28(22-11-7-4-8-12-22)24(30)17-19-13-15-21(16-14-19)27-25(31)26-18-23(29)20-9-5-3-6-10-20/h3-16,23,29H,2,17-18H2,1H3,(H2,26,27,31)
InChIKeyOEXJMSKNGFVQGF-UHFFFAOYSA-N
MW417.51 g/mol
LogP4.14
Rot. Bonds8

About N-ethyl-2-[4-[(2-hydroxy-2-phenylethyl)carbamoylamino]phenyl]-N-phenylacetamide

N-ethyl-2-[4-[(2-hydroxy-2-phenylethyl)carbamoylamino]phenyl]-N-phenylacetamide (PubChem CID 112838540) has the molecular formula C25H27N3O3 and a molecular weight of 417.51 g/mol. Its IUPAC name is N-ethyl-2-[4-[(2-hydroxy-2-phenylethyl)carbamoylamino]phenyl]-N-phenylacetamide.

Molecular Properties

Compound NameN-ethyl-2-[4-[(2-hydroxy-2-phenylethyl)carbamoylamino]phenyl]-N-phenylacetamide
PubChem CID112838540
Molecular FormulaC25H27N3O3
Molecular Weight417.51 g/mol
Exact Mass417.21
IUPAC NameN-ethyl-2-[4-[(2-hydroxy-2-phenylethyl)carbamoylamino]phenyl]-N-phenylacetamide
SMILESCCN(C(=O)Cc1ccc(NC(=O)NCC(O)c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C25H27N3O3/c1-2-28(22-11-7-4-8-12-22)24(30)17-19-13-15-21(16-14-19)27-25(31)26-18-23(29)20-9-5-3-6-10-20/h3-16,23,29H,2,17-18H2,1H3,(H2,26,27,31)
InChIKeyOEXJMSKNGFVQGF-UHFFFAOYSA-N
XLogP4.14
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 54.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-3-phenylpropanamide
CID 55817357
1-(4-ethoxyphenyl)-3-[(2S)-2-hydroxy-2-phenylethyl]urea
CID 95157706
1-(4-chlorophenyl)-3-(2-hydroxy-2-phenylethyl)urea
CID 15933957
(2S)-2-amino-N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-4-methylpentanamide
CID 119717943
1-amino-N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]cyclopropane-1-carboxamide;hydrochloride
CID 119717908
N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-3,4-dimethylbenzamide
CID 55891914
N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]piperidine-2-carboxamide
CID 119286338
N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-2,5-dimethylthiophene-3-carboxamide
CID 55890640
3-amino-N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119717914
2-[4-(2-methylpropylcarbamoylamino)phenyl]acetic acid
CID 61188287
4-(aminomethyl)-N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]oxane-4-carboxamide
CID 120923508
N-ethyl-N-phenyl-2-(4-propan-2-ylsulfonylphenyl)acetamide
CID 110771447

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[4-[(2-hydroxy-2-phenylethyl)carbamoylamino]phenyl]-N-phenylacetamide?
The IUPAC name of N-ethyl-2-[4-[(2-hydroxy-2-phenylethyl)carbamoylamino]phenyl]-N-phenylacetamide (CID 112838540) is N-ethyl-2-[4-[(2-hydroxy-2-phenylethyl)carbamoylamino]phenyl]-N-phenylacetamide.
What is the SMILES notation for N-ethyl-2-[4-[(2-hydroxy-2-phenylethyl)carbamoylamino]phenyl]-N-phenylacetamide?
The canonical SMILES for N-ethyl-2-[4-[(2-hydroxy-2-phenylethyl)carbamoylamino]phenyl]-N-phenylacetamide is CCN(C(=O)Cc1ccc(NC(=O)NCC(O)c2ccccc2)cc1)c1ccccc1.
What is the InChIKey of N-ethyl-2-[4-[(2-hydroxy-2-phenylethyl)carbamoylamino]phenyl]-N-phenylacetamide?
The InChIKey is OEXJMSKNGFVQGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O3/c1-2-28(22-11-7-4-8-12-22)24(30)17-19-13-15-21(16-14-19)27-25(31)26-18-23(29)20-9-5-3-6-10-20/h3-16,23,29H,2,17-18H2,1H3,(H2,26,27,31).
What are the key properties of N-ethyl-2-[4-[(2-hydroxy-2-phenylethyl)carbamoylamino]phenyl]-N-phenylacetamide?
N-ethyl-2-[4-[(2-hydroxy-2-phenylethyl)carbamoylamino]phenyl]-N-phenylacetamide has a molecular weight of 417.51 g/mol, XLogP of 4.14, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[4-[(2-hydroxy-2-phenylethyl)carbamoylamino]phenyl]-N-phenylacetamide is sourced from PubChem (CID 112838540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).