4-(oxan-4-ylmethylcarbamoylamino)-N-(2-phenylethyl)benzamide

C22H27N3O3 — CID 72889045

IUPAC4-(oxan-4-ylmethylcarbamoylamino)-N-(2-phenylethyl)benzamide
SMILESO=C(NCC1CCOCC1)Nc1ccc(C(=O)NCCc2ccccc2)cc1
InChIInChI=1S/C22H27N3O3/c26-21(23-13-10-17-4-2-1-3-5-17)19-6-8-20(9-7-19)25-22(27)24-16-18-11-14-28-15-12-18/h1-9,18H,10-16H2,(H,23,26)(H2,24,25,27)
InChIKeyBWAUQNKMEVHSFZ-UHFFFAOYSA-N
MW381.48 g/mol
LogP3.21
Rot. Bonds7

About 4-(oxan-4-ylmethylcarbamoylamino)-N-(2-phenylethyl)benzamide

4-(oxan-4-ylmethylcarbamoylamino)-N-(2-phenylethyl)benzamide (PubChem CID 72889045) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is 4-(oxan-4-ylmethylcarbamoylamino)-N-(2-phenylethyl)benzamide.

Molecular Properties

Compound Name4-(oxan-4-ylmethylcarbamoylamino)-N-(2-phenylethyl)benzamide
PubChem CID72889045
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC Name4-(oxan-4-ylmethylcarbamoylamino)-N-(2-phenylethyl)benzamide
SMILESO=C(NCC1CCOCC1)Nc1ccc(C(=O)NCCc2ccccc2)cc1
InChIInChI=1S/C22H27N3O3/c26-21(23-13-10-17-4-2-1-3-5-17)19-6-8-20(9-7-19)25-22(27)24-16-18-11-14-28-15-12-18/h1-9,18H,10-16H2,(H,23,26)(H2,24,25,27)
InChIKeyBWAUQNKMEVHSFZ-UHFFFAOYSA-N
XLogP3.21
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 53.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(cyclopropylcarbamoylamino)-N-(2-phenylethyl)benzamide
CID 39884786
[4-(oxan-4-ylmethylcarbamoyl)phenyl]carbamic acid
CID 90422434
1-N,4-N-bis(2-phenylethyl)benzene-1,4-dicarboxamide
CID 984633
N-(2-phenylethyl)-4-(pyridin-4-ylmethylcarbamoylamino)benzamide
CID 135231352
N-(2-phenylethyl)-4-(3-phenylpropanoylamino)benzamide
CID 1296529
4-(2-phenylethylcarbamoylamino)benzamide
CID 108888099
4-N-(2,6-difluorophenyl)-1-N-(2-phenylethyl)benzene-1,4-dicarboxamide
CID 109047887
4-methyl-N-(oxan-4-ylmethyl)benzamide
CID 110736358
4-chloro-N-(oxan-4-ylmethyl)benzamide
CID 110736386
4-amino-N-(oxan-4-ylmethyl)benzamide
CID 63727258
N-[4-(2-phenylethylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 119303511
1-(oxan-4-ylmethyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 108912931

Frequently Asked Questions

What is the IUPAC name of 4-(oxan-4-ylmethylcarbamoylamino)-N-(2-phenylethyl)benzamide?
The IUPAC name of 4-(oxan-4-ylmethylcarbamoylamino)-N-(2-phenylethyl)benzamide (CID 72889045) is 4-(oxan-4-ylmethylcarbamoylamino)-N-(2-phenylethyl)benzamide.
What is the SMILES notation for 4-(oxan-4-ylmethylcarbamoylamino)-N-(2-phenylethyl)benzamide?
The canonical SMILES for 4-(oxan-4-ylmethylcarbamoylamino)-N-(2-phenylethyl)benzamide is O=C(NCC1CCOCC1)Nc1ccc(C(=O)NCCc2ccccc2)cc1.
What is the InChIKey of 4-(oxan-4-ylmethylcarbamoylamino)-N-(2-phenylethyl)benzamide?
The InChIKey is BWAUQNKMEVHSFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c26-21(23-13-10-17-4-2-1-3-5-17)19-6-8-20(9-7-19)25-22(27)24-16-18-11-14-28-15-12-18/h1-9,18H,10-16H2,(H,23,26)(H2,24,25,27).
What are the key properties of 4-(oxan-4-ylmethylcarbamoylamino)-N-(2-phenylethyl)benzamide?
4-(oxan-4-ylmethylcarbamoylamino)-N-(2-phenylethyl)benzamide has a molecular weight of 381.48 g/mol, XLogP of 3.21, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxan-4-ylmethylcarbamoylamino)-N-(2-phenylethyl)benzamide is sourced from PubChem (CID 72889045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).