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

C29H42N2O3 — CID 42701112

IUPAC2-ethyl-N-(3-morpholin-4-ylpropyl)-N-[(4-phenylmethoxyphenyl)methyl]hexanamide
SMILESCCCCC(CC)C(=O)N(CCCN1CCOCC1)Cc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C29H42N2O3/c1-3-5-12-27(4-2)29(32)31(18-9-17-30-19-21-33-22-20-30)23-25-13-15-28(16-14-25)34-24-26-10-7-6-8-11-26/h6-8,10-11,13-16,27H,3-5,9,12,17-24H2,1-2H3
InChIKeyUNHQTBQTOSFUCP-UHFFFAOYSA-N
MW466.67 g/mol
LogP5.53
Rot. Bonds14

About 2-ethyl-N-(3-morpholin-4-ylpropyl)-N-[(4-phenylmethoxyphenyl)methyl]hexanamide

2-ethyl-N-(3-morpholin-4-ylpropyl)-N-[(4-phenylmethoxyphenyl)methyl]hexanamide (PubChem CID 42701112) has the molecular formula C29H42N2O3 and a molecular weight of 466.67 g/mol. Its IUPAC name is 2-ethyl-N-(3-morpholin-4-ylpropyl)-N-[(4-phenylmethoxyphenyl)methyl]hexanamide.

Molecular Properties

Compound Name2-ethyl-N-(3-morpholin-4-ylpropyl)-N-[(4-phenylmethoxyphenyl)methyl]hexanamide
PubChem CID42701112
Molecular FormulaC29H42N2O3
Molecular Weight466.67 g/mol
Exact Mass466.32
IUPAC Name2-ethyl-N-(3-morpholin-4-ylpropyl)-N-[(4-phenylmethoxyphenyl)methyl]hexanamide
SMILESCCCCC(CC)C(=O)N(CCCN1CCOCC1)Cc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C29H42N2O3/c1-3-5-12-27(4-2)29(32)31(18-9-17-30-19-21-33-22-20-30)23-25-13-15-28(16-14-25)34-24-26-10-7-6-8-11-26/h6-8,10-11,13-16,27H,3-5,9,12,17-24H2,1-2H3
InChIKeyUNHQTBQTOSFUCP-UHFFFAOYSA-N
XLogP5.53
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.67
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-ethyl-N-(3-morpholin-4-ylpropyl)-N-[(4-phenylmethoxyphenyl)methyl]hexanamide with MolForge

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Related Compounds

1-(3-morpholin-4-ylpropyl)-3-phenyl-1-[(4-phenylmethoxyphenyl)methyl]urea
CID 42701155
4-ethyl-N-(3-morpholin-4-ylpropyl)-N-[(3-phenylmethoxyphenyl)methyl]benzamide
CID 42705023
N-butyl-2-ethyl-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]hexanamide
CID 42705071
2-chloro-N-(2-morpholin-4-ylethyl)-N-[(4-phenylmethoxyphenyl)methyl]benzamide
CID 42698238
1-(2-morpholin-4-ylethyl)-1-[(4-phenylmethoxyphenyl)methyl]-3-(4-propan-2-ylphenyl)urea
CID 42698254
3-benzyl-1-[(4-ethoxyphenyl)methyl]-1-(3-morpholin-4-ylpropyl)thiourea
CID 3399860
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-4-butoxy-N-(3-morpholin-4-ylpropyl)benzamide
CID 4098227
[4-[[benzyl-[(2R)-2-ethylhexanoyl]amino]methyl]phenyl] methanesulfonate
CID 7237988
N-(3-morpholin-4-ylpropyl)-N-[(3-phenoxyphenyl)methyl]butanamide
CID 42701309
(2R)-2-ethyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)hexanamide
CID 7258953
N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)pentanamide
CID 42701779
N-(2-morpholin-4-ylethyl)-N-[(3-phenylmethoxyphenyl)methyl]benzamide
CID 42704967

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(3-morpholin-4-ylpropyl)-N-[(4-phenylmethoxyphenyl)methyl]hexanamide?
The IUPAC name of 2-ethyl-N-(3-morpholin-4-ylpropyl)-N-[(4-phenylmethoxyphenyl)methyl]hexanamide (CID 42701112) is 2-ethyl-N-(3-morpholin-4-ylpropyl)-N-[(4-phenylmethoxyphenyl)methyl]hexanamide.
What is the SMILES notation for 2-ethyl-N-(3-morpholin-4-ylpropyl)-N-[(4-phenylmethoxyphenyl)methyl]hexanamide?
The canonical SMILES for 2-ethyl-N-(3-morpholin-4-ylpropyl)-N-[(4-phenylmethoxyphenyl)methyl]hexanamide is CCCCC(CC)C(=O)N(CCCN1CCOCC1)Cc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 2-ethyl-N-(3-morpholin-4-ylpropyl)-N-[(4-phenylmethoxyphenyl)methyl]hexanamide?
The InChIKey is UNHQTBQTOSFUCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H42N2O3/c1-3-5-12-27(4-2)29(32)31(18-9-17-30-19-21-33-22-20-30)23-25-13-15-28(16-14-25)34-24-26-10-7-6-8-11-26/h6-8,10-11,13-16,27H,3-5,9,12,17-24H2,1-2H3.
What are the key properties of 2-ethyl-N-(3-morpholin-4-ylpropyl)-N-[(4-phenylmethoxyphenyl)methyl]hexanamide?
2-ethyl-N-(3-morpholin-4-ylpropyl)-N-[(4-phenylmethoxyphenyl)methyl]hexanamide has a molecular weight of 466.67 g/mol, XLogP of 5.53, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(3-morpholin-4-ylpropyl)-N-[(4-phenylmethoxyphenyl)methyl]hexanamide is sourced from PubChem (CID 42701112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).