methyl 5-[(4-fluoro-3,5-dimethoxybenzoyl)-(3-phenylpropyl)amino]pentanoate

C24H30FNO5 — CID 131988415

IUPACmethyl 5-[(4-fluoro-3,5-dimethoxybenzoyl)-(3-phenylpropyl)amino]pentanoate
SMILESCOC(=O)CCCCN(CCCc1ccccc1)C(=O)c1cc(OC)c(F)c(OC)c1
InChIInChI=1S/C24H30FNO5/c1-29-20-16-19(17-21(30-2)23(20)25)24(28)26(14-8-7-13-22(27)31-3)15-9-12-18-10-5-4-6-11-18/h4-6,10-11,16-17H,7-9,12-15H2,1-3H3
InChIKeyJNFVSWITARKDJV-UHFFFAOYSA-N
MW431.50 g/mol
LogP4.26
Rot. Bonds12

About methyl 5-[(4-fluoro-3,5-dimethoxybenzoyl)-(3-phenylpropyl)amino]pentanoate

methyl 5-[(4-fluoro-3,5-dimethoxybenzoyl)-(3-phenylpropyl)amino]pentanoate (PubChem CID 131988415) has the molecular formula C24H30FNO5 and a molecular weight of 431.50 g/mol. Its IUPAC name is methyl 5-[(4-fluoro-3,5-dimethoxybenzoyl)-(3-phenylpropyl)amino]pentanoate.

Molecular Properties

Compound Namemethyl 5-[(4-fluoro-3,5-dimethoxybenzoyl)-(3-phenylpropyl)amino]pentanoate
PubChem CID131988415
Molecular FormulaC24H30FNO5
Molecular Weight431.50 g/mol
Exact Mass431.21
IUPAC Namemethyl 5-[(4-fluoro-3,5-dimethoxybenzoyl)-(3-phenylpropyl)amino]pentanoate
SMILESCOC(=O)CCCCN(CCCc1ccccc1)C(=O)c1cc(OC)c(F)c(OC)c1
InChIInChI=1S/C24H30FNO5/c1-29-20-16-19(17-21(30-2)23(20)25)24(28)26(14-8-7-13-22(27)31-3)15-9-12-18-10-5-4-6-11-18/h4-6,10-11,16-17H,7-9,12-15H2,1-3H3
InChIKeyJNFVSWITARKDJV-UHFFFAOYSA-N
XLogP4.26
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.50
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 5-[[4-(2-hydroxyethoxy)-3,5-dimethoxybenzoyl]-(3-phenylpropyl)amino]pentanoate
CID 138559061
5-[(4-fluoro-3-methoxybenzoyl)-(3-phenylpropyl)amino]pentanoic acid
CID 131988227
methyl 6-[benzoylcarbamoyl(3-phenylpropyl)amino]hexanoate
CID 59687104
3,5-dimethoxy-4-methyl-N-[5-oxo-5-(pyridin-2-ylsulfonylamino)pentyl]-N-(3-phenylpropyl)benzamide
CID 131988304
3,5-dimethoxy-4-methyl-N-[3-(methylsulfamoylamino)-3-oxopropyl]-N-(3-phenylpropyl)benzamide
CID 131988337
4-[[3-phenylpropyl-(3,4,5-trimethoxybenzoyl)amino]methyl]benzoic acid
CID 66774944
2-[4-[[3-phenylpropyl-(3,4,5-trimethoxybenzoyl)amino]methyl]phenyl]acetic acid
CID 66775075
N-(2-aminoethyl)-3,5-dimethoxy-4-methyl-N-(2-phenylethyl)benzamide
CID 120884398
2-[3-[[3-phenylpropyl-(3,4,5-trimethoxybenzoyl)amino]methyl]phenoxy]acetic acid
CID 66775227
2-[3-[[(3,5-dimethoxy-4-methylbenzoyl)-(3-phenylpropyl)amino]methyl]phenoxy]acetic acid
CID 66775114
methyl 8-oxo-8-(2-phenylethylamino)octanoate
CID 42600200
3-[2-[(3,5-dimethoxy-4-methylbenzoyl)-(3-phenylpropyl)amino]ethylsulfanyl]butanoic acid
CID 131988241

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(4-fluoro-3,5-dimethoxybenzoyl)-(3-phenylpropyl)amino]pentanoate?
The IUPAC name of methyl 5-[(4-fluoro-3,5-dimethoxybenzoyl)-(3-phenylpropyl)amino]pentanoate (CID 131988415) is methyl 5-[(4-fluoro-3,5-dimethoxybenzoyl)-(3-phenylpropyl)amino]pentanoate.
What is the SMILES notation for methyl 5-[(4-fluoro-3,5-dimethoxybenzoyl)-(3-phenylpropyl)amino]pentanoate?
The canonical SMILES for methyl 5-[(4-fluoro-3,5-dimethoxybenzoyl)-(3-phenylpropyl)amino]pentanoate is COC(=O)CCCCN(CCCc1ccccc1)C(=O)c1cc(OC)c(F)c(OC)c1.
What is the InChIKey of methyl 5-[(4-fluoro-3,5-dimethoxybenzoyl)-(3-phenylpropyl)amino]pentanoate?
The InChIKey is JNFVSWITARKDJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30FNO5/c1-29-20-16-19(17-21(30-2)23(20)25)24(28)26(14-8-7-13-22(27)31-3)15-9-12-18-10-5-4-6-11-18/h4-6,10-11,16-17H,7-9,12-15H2,1-3H3.
What are the key properties of methyl 5-[(4-fluoro-3,5-dimethoxybenzoyl)-(3-phenylpropyl)amino]pentanoate?
methyl 5-[(4-fluoro-3,5-dimethoxybenzoyl)-(3-phenylpropyl)amino]pentanoate has a molecular weight of 431.50 g/mol, XLogP of 4.26, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(4-fluoro-3,5-dimethoxybenzoyl)-(3-phenylpropyl)amino]pentanoate is sourced from PubChem (CID 131988415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).