3-[1-(5-acetyl-2-phenylmethoxyphenyl)propyl]-N-(2-hydroxyethyl)benzamide

C27H29NO4 — CID 67659697

IUPAC3-[1-(5-acetyl-2-phenylmethoxyphenyl)propyl]-N-(2-hydroxyethyl)benzamide
SMILESCCC(c1cccc(C(=O)NCCO)c1)c1cc(C(C)=O)ccc1OCc1ccccc1
InChIInChI=1S/C27H29NO4/c1-3-24(22-10-7-11-23(16-22)27(31)28-14-15-29)25-17-21(19(2)30)12-13-26(25)32-18-20-8-5-4-6-9-20/h4-13,16-17,24,29H,3,14-15,18H2,1-2H3,(H,28,31)
InChIKeyDFLWRNSBRPINOV-UHFFFAOYSA-N
MW431.53 g/mol
LogP4.73
Rot. Bonds10

About 3-[1-(5-acetyl-2-phenylmethoxyphenyl)propyl]-N-(2-hydroxyethyl)benzamide

3-[1-(5-acetyl-2-phenylmethoxyphenyl)propyl]-N-(2-hydroxyethyl)benzamide (PubChem CID 67659697) has the molecular formula C27H29NO4 and a molecular weight of 431.53 g/mol. Its IUPAC name is 3-[1-(5-acetyl-2-phenylmethoxyphenyl)propyl]-N-(2-hydroxyethyl)benzamide.

Molecular Properties

Compound Name3-[1-(5-acetyl-2-phenylmethoxyphenyl)propyl]-N-(2-hydroxyethyl)benzamide
PubChem CID67659697
Molecular FormulaC27H29NO4
Molecular Weight431.53 g/mol
Exact Mass431.21
IUPAC Name3-[1-(5-acetyl-2-phenylmethoxyphenyl)propyl]-N-(2-hydroxyethyl)benzamide
SMILESCCC(c1cccc(C(=O)NCCO)c1)c1cc(C(C)=O)ccc1OCc1ccccc1
InChIInChI=1S/C27H29NO4/c1-3-24(22-10-7-11-23(16-22)27(31)28-14-15-29)25-17-21(19(2)30)12-13-26(25)32-18-20-8-5-4-6-9-20/h4-13,16-17,24,29H,3,14-15,18H2,1-2H3,(H,28,31)
InChIKeyDFLWRNSBRPINOV-UHFFFAOYSA-N
XLogP4.73
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.53
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxyethyl)-3-[1-(5-nitro-2-phenylmethoxyphenyl)ethyl]benzamide
CID 67659630
1-[3-[(1R)-3-amino-1-phenylpropyl]-4-phenylmethoxyphenyl]ethanone
CID 70277293
3-[1-[3-[di(propan-2-yl)amino]phenyl]propyl]-4-phenylmethoxybenzoic acid
CID 66779710
N-(2-hydroxyethyl)-4-phenylmethoxybenzamide
CID 10825986
N-benzyl-3-ethoxy-4-phenylmethoxybenzamide
CID 2192321
3-benzamido-4-[(4-chlorophenyl)methoxy]-N-(2-hydroxyethyl)benzamide
CID 134132299
N-(2-hydroxyethyl)-3,5-bis(phenylmethoxy)benzamide
CID 171338561
1-[3-[(1R)-3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-phenylmethoxyphenyl]ethanol;1-[3-[(1R)-3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-phenylmethoxyphenyl]ethanone
CID 159180962
N-(2-hydroxyethyl)-3-[2-(5-nitro-2-phenylmethoxyphenyl)ethyl]benzamide
CID 23209938
benzyl N-[2-[(3-propan-2-ylbenzoyl)amino]ethyl]carbamate
CID 159867528
N-(2-hydroxyethyl)-4-[(2-phenylmethoxyphenyl)methylsulfanyl]benzamide
CID 18789573
(2R)-2-hydroxy-4-[(4-methoxy-3-phenylmethoxybenzoyl)amino]butanoic acid
CID 13341006

Frequently Asked Questions

What is the IUPAC name of 3-[1-(5-acetyl-2-phenylmethoxyphenyl)propyl]-N-(2-hydroxyethyl)benzamide?
The IUPAC name of 3-[1-(5-acetyl-2-phenylmethoxyphenyl)propyl]-N-(2-hydroxyethyl)benzamide (CID 67659697) is 3-[1-(5-acetyl-2-phenylmethoxyphenyl)propyl]-N-(2-hydroxyethyl)benzamide.
What is the SMILES notation for 3-[1-(5-acetyl-2-phenylmethoxyphenyl)propyl]-N-(2-hydroxyethyl)benzamide?
The canonical SMILES for 3-[1-(5-acetyl-2-phenylmethoxyphenyl)propyl]-N-(2-hydroxyethyl)benzamide is CCC(c1cccc(C(=O)NCCO)c1)c1cc(C(C)=O)ccc1OCc1ccccc1.
What is the InChIKey of 3-[1-(5-acetyl-2-phenylmethoxyphenyl)propyl]-N-(2-hydroxyethyl)benzamide?
The InChIKey is DFLWRNSBRPINOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29NO4/c1-3-24(22-10-7-11-23(16-22)27(31)28-14-15-29)25-17-21(19(2)30)12-13-26(25)32-18-20-8-5-4-6-9-20/h4-13,16-17,24,29H,3,14-15,18H2,1-2H3,(H,28,31).
What are the key properties of 3-[1-(5-acetyl-2-phenylmethoxyphenyl)propyl]-N-(2-hydroxyethyl)benzamide?
3-[1-(5-acetyl-2-phenylmethoxyphenyl)propyl]-N-(2-hydroxyethyl)benzamide has a molecular weight of 431.53 g/mol, XLogP of 4.73, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(5-acetyl-2-phenylmethoxyphenyl)propyl]-N-(2-hydroxyethyl)benzamide is sourced from PubChem (CID 67659697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).