1-[4-[(4-phenoxyphenyl)carbamoylamino]phenyl]pyrrolidine-2-carboxamide

C24H24N4O3 — CID 91807695

IUPAC1-[4-[(4-phenoxyphenyl)carbamoylamino]phenyl]pyrrolidine-2-carboxamide
SMILESNC(=O)C1CCCN1c1ccc(NC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1
InChIInChI=1S/C24H24N4O3/c25-23(29)22-7-4-16-28(22)19-12-8-17(9-13-19)26-24(30)27-18-10-14-21(15-11-18)31-20-5-2-1-3-6-20/h1-3,5-6,8-15,22H,4,7,16H2,(H2,25,29)(H2,26,27,30)
InChIKeyALVSBDRVZPHIFV-UHFFFAOYSA-N
MW416.48 g/mol
LogP4.58
Rot. Bonds6

About 1-[4-[(4-phenoxyphenyl)carbamoylamino]phenyl]pyrrolidine-2-carboxamide

1-[4-[(4-phenoxyphenyl)carbamoylamino]phenyl]pyrrolidine-2-carboxamide (PubChem CID 91807695) has the molecular formula C24H24N4O3 and a molecular weight of 416.48 g/mol. Its IUPAC name is 1-[4-[(4-phenoxyphenyl)carbamoylamino]phenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[4-[(4-phenoxyphenyl)carbamoylamino]phenyl]pyrrolidine-2-carboxamide
PubChem CID91807695
Molecular FormulaC24H24N4O3
Molecular Weight416.48 g/mol
Exact Mass416.18
IUPAC Name1-[4-[(4-phenoxyphenyl)carbamoylamino]phenyl]pyrrolidine-2-carboxamide
SMILESNC(=O)C1CCCN1c1ccc(NC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1
InChIInChI=1S/C24H24N4O3/c25-23(29)22-7-4-16-28(22)19-12-8-17(9-13-19)26-24(30)27-18-10-14-21(15-11-18)31-20-5-2-1-3-6-20/h1-3,5-6,8-15,22H,4,7,16H2,(H2,25,29)(H2,26,27,30)
InChIKeyALVSBDRVZPHIFV-UHFFFAOYSA-N
XLogP4.58
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 54.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,3-dioxotetrahydro-1H-pyrrolo[1,2-c]imidazol-2(3H)-yl)-N-(4-ethoxyphenyl)acetamide
CID 4270974
1-(4-Phenoxyphenyl)-3-(1-propionylpiperidin-4-yl)urea
CID 49783004
N-(4-phenoxyphenyl)-2-(4-phenylpiperazin-1-yl)acetamide
CID 2940986
(2S)-2-amino-N-(2-aminoethyl)-N''-(4-phenoxyphenyl)pentanediamide
CID 24901635
(4S)-4,5-diamino-N-(4-phenoxyphenyl)pentanamide
CID 24901637
1-(4-Ethoxyphenyl)-3-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 16194672
N-(4-phenoxyphenyl)-2-(piperazin-1-yl)acetamide
CID 1846147
(Z)-5-(4-((dimethylamino)methyl)benzylidene)-3-(4-phenoxyphenyl)imidazolidine-2,4-dione
CID 15983733
(Z)-5-(4-((2-(dimethylamino)ethylamino)methyl)benzylidene)-3-(4-phenoxyphenyl)imidazolidine-2,4-dione
CID 15983864
2-((3-(dimethylamino)propyl)(methyl)amino)-N-(4-phenoxyphenyl)acetamide
CID 23653293
N-cyclohexyl-N'-(4-phenoxyphenyl)urea
CID 840674
N-[4-[4-[[1-oxo-2-(1-pyrrolidinyl)ethyl]amino]phenoxy]phenyl]-2-(1-pyrrolidinyl)acetamide
CID 647483

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-phenoxyphenyl)carbamoylamino]phenyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-[4-[(4-phenoxyphenyl)carbamoylamino]phenyl]pyrrolidine-2-carboxamide (CID 91807695) is 1-[4-[(4-phenoxyphenyl)carbamoylamino]phenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[4-[(4-phenoxyphenyl)carbamoylamino]phenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[4-[(4-phenoxyphenyl)carbamoylamino]phenyl]pyrrolidine-2-carboxamide is NC(=O)C1CCCN1c1ccc(NC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1.
What is the InChIKey of 1-[4-[(4-phenoxyphenyl)carbamoylamino]phenyl]pyrrolidine-2-carboxamide?
The InChIKey is ALVSBDRVZPHIFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O3/c25-23(29)22-7-4-16-28(22)19-12-8-17(9-13-19)26-24(30)27-18-10-14-21(15-11-18)31-20-5-2-1-3-6-20/h1-3,5-6,8-15,22H,4,7,16H2,(H2,25,29)(H2,26,27,30).
What are the key properties of 1-[4-[(4-phenoxyphenyl)carbamoylamino]phenyl]pyrrolidine-2-carboxamide?
1-[4-[(4-phenoxyphenyl)carbamoylamino]phenyl]pyrrolidine-2-carboxamide has a molecular weight of 416.48 g/mol, XLogP of 4.58, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-phenoxyphenyl)carbamoylamino]phenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 91807695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).