2-[(4-methylbenzoyl)amino]-N-(3-morpholin-4-ylpropyl)benzamide

C22H27N3O3 — CID 8781780

IUPAC2-[(4-methylbenzoyl)amino]-N-(3-morpholin-4-ylpropyl)benzamide
SMILESCc1ccc(C(=O)Nc2ccccc2C(=O)NCCCN2CCOCC2)cc1
InChIInChI=1S/C22H27N3O3/c1-17-7-9-18(10-8-17)21(26)24-20-6-3-2-5-19(20)22(27)23-11-4-12-25-13-15-28-16-14-25/h2-3,5-10H,4,11-16H2,1H3,(H,23,27)(H,24,26)
InChIKeyFANALSCYCVWSPS-UHFFFAOYSA-N
MW381.48 g/mol
LogP2.70
Rot. Bonds7

About 2-[(4-methylbenzoyl)amino]-N-(3-morpholin-4-ylpropyl)benzamide

2-[(4-methylbenzoyl)amino]-N-(3-morpholin-4-ylpropyl)benzamide (PubChem CID 8781780) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is 2-[(4-methylbenzoyl)amino]-N-(3-morpholin-4-ylpropyl)benzamide.

Molecular Properties

Compound Name2-[(4-methylbenzoyl)amino]-N-(3-morpholin-4-ylpropyl)benzamide
PubChem CID8781780
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC Name2-[(4-methylbenzoyl)amino]-N-(3-morpholin-4-ylpropyl)benzamide
SMILESCc1ccc(C(=O)Nc2ccccc2C(=O)NCCCN2CCOCC2)cc1
InChIInChI=1S/C22H27N3O3/c1-17-7-9-18(10-8-17)21(26)24-20-6-3-2-5-19(20)22(27)23-11-4-12-25-13-15-28-16-14-25/h2-3,5-10H,4,11-16H2,1H3,(H,23,27)(H,24,26)
InChIKeyFANALSCYCVWSPS-UHFFFAOYSA-N
XLogP2.70
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[(4-methylbenzoyl)amino]-N-(3-morpholin-4-ylpropyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-N-[2-(2-morpholin-4-ylethylcarbamoyl)phenyl]benzamide
CID 27241616
4-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 803484
1-N,4-N-bis(3-morpholin-4-ylpropyl)benzene-1,4-dicarboxamide;hydrochloride
CID 54609927
N-(3-morpholin-4-ylpropyl)-2-propan-2-ylbenzamide
CID 143519809
2-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-(3-morpholin-4-ylpropyl)benzamide
CID 8781822
N-[5-methoxy-2-(3-morpholin-4-ylpropylcarbamoyl)phenyl]naphthalene-2-carboxamide
CID 118913457
4-chloro-N-[2-(4-morpholin-4-ylbutanoyl)phenyl]benzamide
CID 146717960
6-methyl-N-(3-morpholin-4-ylpropyl)naphthalene-2-carboxamide
CID 142825714
2-[3-(4-methoxyphenyl)propanoylamino]-N-(3-morpholin-4-ylpropyl)benzamide
CID 8781754
2-[[2-(2-cyanophenoxy)acetyl]amino]-N-(3-morpholin-4-ylpropyl)benzamide
CID 8781828
3-benzamido-4-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 17226356
4-(methylamino)-N-(3-morpholin-4-ylpropyl)benzamide
CID 62167538

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylbenzoyl)amino]-N-(3-morpholin-4-ylpropyl)benzamide?
The IUPAC name of 2-[(4-methylbenzoyl)amino]-N-(3-morpholin-4-ylpropyl)benzamide (CID 8781780) is 2-[(4-methylbenzoyl)amino]-N-(3-morpholin-4-ylpropyl)benzamide.
What is the SMILES notation for 2-[(4-methylbenzoyl)amino]-N-(3-morpholin-4-ylpropyl)benzamide?
The canonical SMILES for 2-[(4-methylbenzoyl)amino]-N-(3-morpholin-4-ylpropyl)benzamide is Cc1ccc(C(=O)Nc2ccccc2C(=O)NCCCN2CCOCC2)cc1.
What is the InChIKey of 2-[(4-methylbenzoyl)amino]-N-(3-morpholin-4-ylpropyl)benzamide?
The InChIKey is FANALSCYCVWSPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-17-7-9-18(10-8-17)21(26)24-20-6-3-2-5-19(20)22(27)23-11-4-12-25-13-15-28-16-14-25/h2-3,5-10H,4,11-16H2,1H3,(H,23,27)(H,24,26).
What are the key properties of 2-[(4-methylbenzoyl)amino]-N-(3-morpholin-4-ylpropyl)benzamide?
2-[(4-methylbenzoyl)amino]-N-(3-morpholin-4-ylpropyl)benzamide has a molecular weight of 381.48 g/mol, XLogP of 2.70, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylbenzoyl)amino]-N-(3-morpholin-4-ylpropyl)benzamide is sourced from PubChem (CID 8781780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).