4-[4-[(1R)-1-acetamidoethyl]phenyl]-N-(2-hydroxyethyl)-N-propylbenzamide

C22H28N2O3 — CID 126438407

IUPAC4-[4-[(1R)-1-acetamidoethyl]phenyl]-N-(2-hydroxyethyl)-N-propylbenzamide
SMILESCCCN(CCO)C(=O)c1ccc(-c2ccc([C@@H](C)NC(C)=O)cc2)cc1
InChIInChI=1S/C22H28N2O3/c1-4-13-24(14-15-25)22(27)21-11-9-20(10-12-21)19-7-5-18(6-8-19)16(2)23-17(3)26/h5-12,16,25H,4,13-15H2,1-3H3,(H,23,26)/t16-/m1/s1
InChIKeyUNBCZIYWBYAGPL-MRXNPFEDSA-N
MW368.48 g/mol
LogP3.40
Rot. Bonds8

About 4-[4-[(1R)-1-acetamidoethyl]phenyl]-N-(2-hydroxyethyl)-N-propylbenzamide

4-[4-[(1R)-1-acetamidoethyl]phenyl]-N-(2-hydroxyethyl)-N-propylbenzamide (PubChem CID 126438407) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is 4-[4-[(1R)-1-acetamidoethyl]phenyl]-N-(2-hydroxyethyl)-N-propylbenzamide.

Molecular Properties

Compound Name4-[4-[(1R)-1-acetamidoethyl]phenyl]-N-(2-hydroxyethyl)-N-propylbenzamide
PubChem CID126438407
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC Name4-[4-[(1R)-1-acetamidoethyl]phenyl]-N-(2-hydroxyethyl)-N-propylbenzamide
SMILESCCCN(CCO)C(=O)c1ccc(-c2ccc([C@@H](C)NC(C)=O)cc2)cc1
InChIInChI=1S/C22H28N2O3/c1-4-13-24(14-15-25)22(27)21-11-9-20(10-12-21)19-7-5-18(6-8-19)16(2)23-17(3)26/h5-12,16,25H,4,13-15H2,1-3H3,(H,23,26)/t16-/m1/s1
InChIKeyUNBCZIYWBYAGPL-MRXNPFEDSA-N
XLogP3.40
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;N-(2-hydroxyethyl)-4-methyl-N-propylbenzamide
CID 176553147
3-[1-(4-chlorophenyl)ethyl]-1-(2-hydroxyethyl)-1-propylurea
CID 110894919
N-(2-hydroxyethyl)-4-(hydroxymethyl)-N-propylbenzamide
CID 61425097
4-amino-N-(2-hydroxyethyl)-N-propylbenzamide
CID 60946109
1-ethyl-1-(2-hydroxyethyl)-3-[1-(4-phenylphenyl)ethyl]urea
CID 110894923
4-[[2-oxo-2-(1-phenylethylamino)ethyl]amino]-N,N-dipropylbenzamide
CID 54832017
N-(2-hydroxyethyl)-4-(methylsulfanylmethyl)-N-propylbenzamide
CID 60656648
4-acetamido-N,N-bis(2-hydroxyethyl)benzamide
CID 60653074
4-cyano-N-(2-hydroxyethyl)-N-propylbenzamide
CID 60655710
1-N-butan-2-yl-4-N,4-N-dipropylbenzene-1,4-dicarboxamide
CID 109044096
ethane;4-methyl-N,N-dipropylbenzamide
CID 143600655
4-[(1R)-1-acetamidoethyl]benzamide
CID 175730971

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(1R)-1-acetamidoethyl]phenyl]-N-(2-hydroxyethyl)-N-propylbenzamide?
The IUPAC name of 4-[4-[(1R)-1-acetamidoethyl]phenyl]-N-(2-hydroxyethyl)-N-propylbenzamide (CID 126438407) is 4-[4-[(1R)-1-acetamidoethyl]phenyl]-N-(2-hydroxyethyl)-N-propylbenzamide.
What is the SMILES notation for 4-[4-[(1R)-1-acetamidoethyl]phenyl]-N-(2-hydroxyethyl)-N-propylbenzamide?
The canonical SMILES for 4-[4-[(1R)-1-acetamidoethyl]phenyl]-N-(2-hydroxyethyl)-N-propylbenzamide is CCCN(CCO)C(=O)c1ccc(-c2ccc([C@@H](C)NC(C)=O)cc2)cc1.
What is the InChIKey of 4-[4-[(1R)-1-acetamidoethyl]phenyl]-N-(2-hydroxyethyl)-N-propylbenzamide?
The InChIKey is UNBCZIYWBYAGPL-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-4-13-24(14-15-25)22(27)21-11-9-20(10-12-21)19-7-5-18(6-8-19)16(2)23-17(3)26/h5-12,16,25H,4,13-15H2,1-3H3,(H,23,26)/t16-/m1/s1.
What are the key properties of 4-[4-[(1R)-1-acetamidoethyl]phenyl]-N-(2-hydroxyethyl)-N-propylbenzamide?
4-[4-[(1R)-1-acetamidoethyl]phenyl]-N-(2-hydroxyethyl)-N-propylbenzamide has a molecular weight of 368.48 g/mol, XLogP of 3.40, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(1R)-1-acetamidoethyl]phenyl]-N-(2-hydroxyethyl)-N-propylbenzamide is sourced from PubChem (CID 126438407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).