2-[3-(4-methoxyphenyl)propanoylamino]-N-(3-morpholin-4-ylpropyl)benzamide

C24H31N3O4 — CID 8781754

IUPAC2-[3-(4-methoxyphenyl)propanoylamino]-N-(3-morpholin-4-ylpropyl)benzamide
SMILESCOc1ccc(CCC(=O)Nc2ccccc2C(=O)NCCCN2CCOCC2)cc1
InChIInChI=1S/C24H31N3O4/c1-30-20-10-7-19(8-11-20)9-12-23(28)26-22-6-3-2-5-21(22)24(29)25-13-4-14-27-15-17-31-18-16-27/h2-3,5-8,10-11H,4,9,12-18H2,1H3,(H,25,29)(H,26,28)
InChIKeyHXQKIGPTSCKSBQ-UHFFFAOYSA-N
MW425.53 g/mol
LogP2.72
Rot. Bonds10

About 2-[3-(4-methoxyphenyl)propanoylamino]-N-(3-morpholin-4-ylpropyl)benzamide

2-[3-(4-methoxyphenyl)propanoylamino]-N-(3-morpholin-4-ylpropyl)benzamide (PubChem CID 8781754) has the molecular formula C24H31N3O4 and a molecular weight of 425.53 g/mol. Its IUPAC name is 2-[3-(4-methoxyphenyl)propanoylamino]-N-(3-morpholin-4-ylpropyl)benzamide.

Molecular Properties

Compound Name2-[3-(4-methoxyphenyl)propanoylamino]-N-(3-morpholin-4-ylpropyl)benzamide
PubChem CID8781754
Molecular FormulaC24H31N3O4
Molecular Weight425.53 g/mol
Exact Mass425.23
IUPAC Name2-[3-(4-methoxyphenyl)propanoylamino]-N-(3-morpholin-4-ylpropyl)benzamide
SMILESCOc1ccc(CCC(=O)Nc2ccccc2C(=O)NCCCN2CCOCC2)cc1
InChIInChI=1S/C24H31N3O4/c1-30-20-10-7-19(8-11-20)9-12-23(28)26-22-6-3-2-5-21(22)24(29)25-13-4-14-27-15-17-31-18-16-27/h2-3,5-8,10-11H,4,9,12-18H2,1H3,(H,25,29)(H,26,28)
InChIKeyHXQKIGPTSCKSBQ-UHFFFAOYSA-N
XLogP2.72
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-(3-morpholin-4-ylpropyl)benzamide
CID 8781822
3-(4-methoxyphenyl)-N-[3-[4-[3-[3-(4-methoxyphenyl)propanoylamino]propyl]piperazin-1-yl]propyl]propanamide
CID 4085805
N-[5-methoxy-2-(3-morpholin-4-ylpropylcarbamoyl)phenyl]naphthalene-2-carboxamide
CID 118913457
3-(4-methoxyphenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]propanamide
CID 42224410
2-[(4-methylbenzoyl)amino]-N-(3-morpholin-4-ylpropyl)benzamide
CID 8781780
3-methoxy-N-(3-morpholin-4-ylpropyl)naphthalene-2-carboxamide
CID 17462757
N-(furan-2-ylmethyl)-2-[3-(4-methoxyphenyl)propanoylamino]benzamide
CID 51188549
2-amino-4-methoxy-N-(3-morpholin-4-ylpropyl)benzamide
CID 80503310
2-[[2-(2-cyanophenoxy)acetyl]amino]-N-(3-morpholin-4-ylpropyl)benzamide
CID 8781828
5-(4-methoxyphenyl)-N-(2-morpholin-4-ylphenyl)pentanamide
CID 110297867
N-(3-morpholin-4-ylpropyl)-2-propan-2-ylbenzamide
CID 143519809
N-(2-methoxyethyl)-2-(3-phenylpropanoylamino)benzamide
CID 2206654

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methoxyphenyl)propanoylamino]-N-(3-morpholin-4-ylpropyl)benzamide?
The IUPAC name of 2-[3-(4-methoxyphenyl)propanoylamino]-N-(3-morpholin-4-ylpropyl)benzamide (CID 8781754) is 2-[3-(4-methoxyphenyl)propanoylamino]-N-(3-morpholin-4-ylpropyl)benzamide.
What is the SMILES notation for 2-[3-(4-methoxyphenyl)propanoylamino]-N-(3-morpholin-4-ylpropyl)benzamide?
The canonical SMILES for 2-[3-(4-methoxyphenyl)propanoylamino]-N-(3-morpholin-4-ylpropyl)benzamide is COc1ccc(CCC(=O)Nc2ccccc2C(=O)NCCCN2CCOCC2)cc1.
What is the InChIKey of 2-[3-(4-methoxyphenyl)propanoylamino]-N-(3-morpholin-4-ylpropyl)benzamide?
The InChIKey is HXQKIGPTSCKSBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O4/c1-30-20-10-7-19(8-11-20)9-12-23(28)26-22-6-3-2-5-21(22)24(29)25-13-4-14-27-15-17-31-18-16-27/h2-3,5-8,10-11H,4,9,12-18H2,1H3,(H,25,29)(H,26,28).
What are the key properties of 2-[3-(4-methoxyphenyl)propanoylamino]-N-(3-morpholin-4-ylpropyl)benzamide?
2-[3-(4-methoxyphenyl)propanoylamino]-N-(3-morpholin-4-ylpropyl)benzamide has a molecular weight of 425.53 g/mol, XLogP of 2.72, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-methoxyphenyl)propanoylamino]-N-(3-morpholin-4-ylpropyl)benzamide is sourced from PubChem (CID 8781754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).