4-ethyl-N-(3-morpholin-4-ylpropyl)-N-[(3-phenylmethoxyphenyl)methyl]benzamide

C30H36N2O3 — CID 42705023

IUPAC4-ethyl-N-(3-morpholin-4-ylpropyl)-N-[(3-phenylmethoxyphenyl)methyl]benzamide
SMILESCCc1ccc(C(=O)N(CCCN2CCOCC2)Cc2cccc(OCc3ccccc3)c2)cc1
InChIInChI=1S/C30H36N2O3/c1-2-25-12-14-28(15-13-25)30(33)32(17-7-16-31-18-20-34-21-19-31)23-27-10-6-11-29(22-27)35-24-26-8-4-3-5-9-26/h3-6,8-15,22H,2,7,16-21,23-24H2,1H3
InChIKeyYOVXWVPMGBXTTL-UHFFFAOYSA-N
MW472.63 g/mol
LogP5.19
Rot. Bonds11

About 4-ethyl-N-(3-morpholin-4-ylpropyl)-N-[(3-phenylmethoxyphenyl)methyl]benzamide

4-ethyl-N-(3-morpholin-4-ylpropyl)-N-[(3-phenylmethoxyphenyl)methyl]benzamide (PubChem CID 42705023) has the molecular formula C30H36N2O3 and a molecular weight of 472.63 g/mol. Its IUPAC name is 4-ethyl-N-(3-morpholin-4-ylpropyl)-N-[(3-phenylmethoxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name4-ethyl-N-(3-morpholin-4-ylpropyl)-N-[(3-phenylmethoxyphenyl)methyl]benzamide
PubChem CID42705023
Molecular FormulaC30H36N2O3
Molecular Weight472.63 g/mol
Exact Mass472.27
IUPAC Name4-ethyl-N-(3-morpholin-4-ylpropyl)-N-[(3-phenylmethoxyphenyl)methyl]benzamide
SMILESCCc1ccc(C(=O)N(CCCN2CCOCC2)Cc2cccc(OCc3ccccc3)c2)cc1
InChIInChI=1S/C30H36N2O3/c1-2-25-12-14-28(15-13-25)30(33)32(17-7-16-31-18-20-34-21-19-31)23-27-10-6-11-29(22-27)35-24-26-8-4-3-5-9-26/h3-6,8-15,22H,2,7,16-21,23-24H2,1H3
InChIKeyYOVXWVPMGBXTTL-UHFFFAOYSA-N
XLogP5.19
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.63
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-morpholin-4-ylethyl)-N-[(3-phenylmethoxyphenyl)methyl]benzamide
CID 42704967
ethyl 4-[[3-morpholin-4-ylpropyl-[(3-phenylmethoxyphenyl)methyl]carbamoyl]amino]benzoate
CID 42705029
3-(4-ethylphenyl)-1-(3-morpholin-4-ylpropyl)-1-[(3-phenoxyphenyl)methyl]urea
CID 42701222
3-(3-fluorophenyl)-1-(3-morpholin-4-ylpropyl)-1-[(3-phenylmethoxyphenyl)methyl]urea
CID 42705031
N-(3-morpholin-4-ylpropyl)-N-[(3-phenoxyphenyl)methyl]butanamide
CID 42701309
4-ethyl-N-[(E)-2-methyl-3-phenylprop-2-enyl]-N-(3-morpholin-4-ylpropyl)benzamide
CID 10250791
2-ethyl-N-(3-morpholin-4-ylpropyl)-N-[(4-phenylmethoxyphenyl)methyl]hexanamide
CID 42701112
1-(3-morpholin-4-ylpropyl)-3-phenyl-1-[(4-phenylmethoxyphenyl)methyl]urea
CID 42701155
2-chloro-N-(2-morpholin-4-ylethyl)-N-[(4-phenylmethoxyphenyl)methyl]benzamide
CID 42698238
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-4-butoxy-N-(3-morpholin-4-ylpropyl)benzamide
CID 4098227
ethyl 4-[[(3-methoxy-4-phenylmethoxyphenyl)methyl-(3-morpholin-4-ylpropyl)carbamoyl]amino]benzoate
CID 42708428
2,4-dichloro-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(3-morpholin-4-ylpropyl)benzamide
CID 42704417

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(3-morpholin-4-ylpropyl)-N-[(3-phenylmethoxyphenyl)methyl]benzamide?
The IUPAC name of 4-ethyl-N-(3-morpholin-4-ylpropyl)-N-[(3-phenylmethoxyphenyl)methyl]benzamide (CID 42705023) is 4-ethyl-N-(3-morpholin-4-ylpropyl)-N-[(3-phenylmethoxyphenyl)methyl]benzamide.
What is the SMILES notation for 4-ethyl-N-(3-morpholin-4-ylpropyl)-N-[(3-phenylmethoxyphenyl)methyl]benzamide?
The canonical SMILES for 4-ethyl-N-(3-morpholin-4-ylpropyl)-N-[(3-phenylmethoxyphenyl)methyl]benzamide is CCc1ccc(C(=O)N(CCCN2CCOCC2)Cc2cccc(OCc3ccccc3)c2)cc1.
What is the InChIKey of 4-ethyl-N-(3-morpholin-4-ylpropyl)-N-[(3-phenylmethoxyphenyl)methyl]benzamide?
The InChIKey is YOVXWVPMGBXTTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36N2O3/c1-2-25-12-14-28(15-13-25)30(33)32(17-7-16-31-18-20-34-21-19-31)23-27-10-6-11-29(22-27)35-24-26-8-4-3-5-9-26/h3-6,8-15,22H,2,7,16-21,23-24H2,1H3.
What are the key properties of 4-ethyl-N-(3-morpholin-4-ylpropyl)-N-[(3-phenylmethoxyphenyl)methyl]benzamide?
4-ethyl-N-(3-morpholin-4-ylpropyl)-N-[(3-phenylmethoxyphenyl)methyl]benzamide has a molecular weight of 472.63 g/mol, XLogP of 5.19, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(3-morpholin-4-ylpropyl)-N-[(3-phenylmethoxyphenyl)methyl]benzamide is sourced from PubChem (CID 42705023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).