N-(3-morpholin-4-ylpropyl)-N-[(3-phenoxyphenyl)methyl]butanamide

C24H32N2O3 — CID 42701309

IUPACN-(3-morpholin-4-ylpropyl)-N-[(3-phenoxyphenyl)methyl]butanamide
SMILESCCCC(=O)N(CCCN1CCOCC1)Cc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C24H32N2O3/c1-2-8-24(27)26(14-7-13-25-15-17-28-18-16-25)20-21-9-6-12-23(19-21)29-22-10-4-3-5-11-22/h3-6,9-12,19H,2,7-8,13-18,20H2,1H3
InChIKeySRTNFJOIFWXIRO-UHFFFAOYSA-N
MW396.53 g/mol
LogP4.33
Rot. Bonds10

About N-(3-morpholin-4-ylpropyl)-N-[(3-phenoxyphenyl)methyl]butanamide

N-(3-morpholin-4-ylpropyl)-N-[(3-phenoxyphenyl)methyl]butanamide (PubChem CID 42701309) has the molecular formula C24H32N2O3 and a molecular weight of 396.53 g/mol. Its IUPAC name is N-(3-morpholin-4-ylpropyl)-N-[(3-phenoxyphenyl)methyl]butanamide.

Molecular Properties

Compound NameN-(3-morpholin-4-ylpropyl)-N-[(3-phenoxyphenyl)methyl]butanamide
PubChem CID42701309
Molecular FormulaC24H32N2O3
Molecular Weight396.53 g/mol
Exact Mass396.24
IUPAC NameN-(3-morpholin-4-ylpropyl)-N-[(3-phenoxyphenyl)methyl]butanamide
SMILESCCCC(=O)N(CCCN1CCOCC1)Cc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C24H32N2O3/c1-2-8-24(27)26(14-7-13-25-15-17-28-18-16-25)20-21-9-6-12-23(19-21)29-22-10-4-3-5-11-22/h3-6,9-12,19H,2,7-8,13-18,20H2,1H3
InChIKeySRTNFJOIFWXIRO-UHFFFAOYSA-N
XLogP4.33
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.53
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-morpholin-4-ylethyl)-N-[(3-phenoxyphenyl)methyl]pentanamide
CID 42697864
3-(4-ethylphenyl)-1-(3-morpholin-4-ylpropyl)-1-[(3-phenoxyphenyl)methyl]urea
CID 42701222
3-(2,3-dichlorophenyl)-1-(3-morpholin-4-ylpropyl)-1-[(3-phenoxyphenyl)methyl]urea
CID 42701220
3-(2-methylphenyl)-1-(2-morpholin-4-ylethyl)-1-[(3-phenoxyphenyl)methyl]urea
CID 42697904
4-ethyl-N-(3-morpholin-4-ylpropyl)-N-[(3-phenylmethoxyphenyl)methyl]benzamide
CID 42705023
3-(4-bromophenyl)-1-(2-morpholin-4-ylethyl)-1-[(3-phenoxyphenyl)methyl]urea
CID 42697897
ethyl 4-[[3-morpholin-4-ylpropyl-[(3-phenylmethoxyphenyl)methyl]carbamoyl]amino]benzoate
CID 42705029
N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)pentanamide
CID 42701779
3-cyclohexyl-1-[(3-methoxyphenyl)methyl]-1-(3-morpholin-4-ylpropyl)urea
CID 3572608
3-(2,4-difluorophenyl)-1-(2-morpholin-4-ylethyl)-1-[(3-phenoxyphenyl)methyl]urea
CID 42697900
N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)hexanamide
CID 42701783
N-[[4-(dimethylamino)phenyl]methyl]-N-(3-morpholin-4-ylpropyl)hexanamide
CID 42701623

Frequently Asked Questions

What is the IUPAC name of N-(3-morpholin-4-ylpropyl)-N-[(3-phenoxyphenyl)methyl]butanamide?
The IUPAC name of N-(3-morpholin-4-ylpropyl)-N-[(3-phenoxyphenyl)methyl]butanamide (CID 42701309) is N-(3-morpholin-4-ylpropyl)-N-[(3-phenoxyphenyl)methyl]butanamide.
What is the SMILES notation for N-(3-morpholin-4-ylpropyl)-N-[(3-phenoxyphenyl)methyl]butanamide?
The canonical SMILES for N-(3-morpholin-4-ylpropyl)-N-[(3-phenoxyphenyl)methyl]butanamide is CCCC(=O)N(CCCN1CCOCC1)Cc1cccc(Oc2ccccc2)c1.
What is the InChIKey of N-(3-morpholin-4-ylpropyl)-N-[(3-phenoxyphenyl)methyl]butanamide?
The InChIKey is SRTNFJOIFWXIRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O3/c1-2-8-24(27)26(14-7-13-25-15-17-28-18-16-25)20-21-9-6-12-23(19-21)29-22-10-4-3-5-11-22/h3-6,9-12,19H,2,7-8,13-18,20H2,1H3.
What are the key properties of N-(3-morpholin-4-ylpropyl)-N-[(3-phenoxyphenyl)methyl]butanamide?
N-(3-morpholin-4-ylpropyl)-N-[(3-phenoxyphenyl)methyl]butanamide has a molecular weight of 396.53 g/mol, XLogP of 4.33, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-ylpropyl)-N-[(3-phenoxyphenyl)methyl]butanamide is sourced from PubChem (CID 42701309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).