2-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-(3-morpholin-4-ylpropyl)benzamide

C24H31N3O4 — CID 8781822

IUPAC2-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-(3-morpholin-4-ylpropyl)benzamide
SMILESCc1ccc(OCC(=O)Nc2ccccc2C(=O)NCCCN2CCOCC2)cc1C
InChIInChI=1S/C24H31N3O4/c1-18-8-9-20(16-19(18)2)31-17-23(28)26-22-7-4-3-6-21(22)24(29)25-10-5-11-27-12-14-30-15-13-27/h3-4,6-9,16H,5,10-15,17H2,1-2H3,(H,25,29)(H,26,28)
InChIKeyXKDMBYCAVVJMJC-UHFFFAOYSA-N
MW425.53 g/mol
LogP2.77
Rot. Bonds9

About 2-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-(3-morpholin-4-ylpropyl)benzamide

2-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-(3-morpholin-4-ylpropyl)benzamide (PubChem CID 8781822) has the molecular formula C24H31N3O4 and a molecular weight of 425.53 g/mol. Its IUPAC name is 2-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-(3-morpholin-4-ylpropyl)benzamide.

Molecular Properties

Compound Name2-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-(3-morpholin-4-ylpropyl)benzamide
PubChem CID8781822
Molecular FormulaC24H31N3O4
Molecular Weight425.53 g/mol
Exact Mass425.23
IUPAC Name2-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-(3-morpholin-4-ylpropyl)benzamide
SMILESCc1ccc(OCC(=O)Nc2ccccc2C(=O)NCCCN2CCOCC2)cc1C
InChIInChI=1S/C24H31N3O4/c1-18-8-9-20(16-19(18)2)31-17-23(28)26-22-7-4-3-6-21(22)24(29)25-10-5-11-27-12-14-30-15-13-27/h3-4,6-9,16H,5,10-15,17H2,1-2H3,(H,25,29)(H,26,28)
InChIKeyXKDMBYCAVVJMJC-UHFFFAOYSA-N
XLogP2.77
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 52.77
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-propylbenzamide
CID 4946012
2-[[2-(2-cyanophenoxy)acetyl]amino]-N-(3-morpholin-4-ylpropyl)benzamide
CID 8781828
2-[3-(4-methoxyphenyl)propanoylamino]-N-(3-morpholin-4-ylpropyl)benzamide
CID 8781754
2-[(4-methylbenzoyl)amino]-N-(3-morpholin-4-ylpropyl)benzamide
CID 8781780
2-(3-methyl-4-propan-2-ylphenoxy)-N-[2-(morpholine-4-carbonyl)phenyl]acetamide
CID 35326706
2-methyl-N-[2-(2-morpholin-4-ylethylcarbamoyl)phenyl]benzamide
CID 27241616
3-methoxy-N-(3-morpholin-4-ylpropyl)naphthalene-2-carboxamide
CID 17462757
N-(3-morpholin-4-ylpropyl)-2-propan-2-ylbenzamide
CID 143519809
N-[5-methoxy-2-(3-morpholin-4-ylpropylcarbamoyl)phenyl]naphthalene-2-carboxamide
CID 118913457
1-[[4-[(3,4-dimethylphenoxy)methyl]benzoyl]amino]-3-(3-morpholin-4-ylpropyl)thiourea
CID 19581697
2-(3,4-dimethylphenoxy)-N-(3-morpholin-4-ylpropyl)butanamide
CID 43916472
2-(3,4-dimethylphenoxy)-N-morpholin-4-ylacetamide
CID 17443595

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-(3-morpholin-4-ylpropyl)benzamide?
The IUPAC name of 2-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-(3-morpholin-4-ylpropyl)benzamide (CID 8781822) is 2-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-(3-morpholin-4-ylpropyl)benzamide.
What is the SMILES notation for 2-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-(3-morpholin-4-ylpropyl)benzamide?
The canonical SMILES for 2-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-(3-morpholin-4-ylpropyl)benzamide is Cc1ccc(OCC(=O)Nc2ccccc2C(=O)NCCCN2CCOCC2)cc1C.
What is the InChIKey of 2-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-(3-morpholin-4-ylpropyl)benzamide?
The InChIKey is XKDMBYCAVVJMJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O4/c1-18-8-9-20(16-19(18)2)31-17-23(28)26-22-7-4-3-6-21(22)24(29)25-10-5-11-27-12-14-30-15-13-27/h3-4,6-9,16H,5,10-15,17H2,1-2H3,(H,25,29)(H,26,28).
What are the key properties of 2-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-(3-morpholin-4-ylpropyl)benzamide?
2-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-(3-morpholin-4-ylpropyl)benzamide has a molecular weight of 425.53 g/mol, XLogP of 2.77, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-(3-morpholin-4-ylpropyl)benzamide is sourced from PubChem (CID 8781822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).