4-(methylamino)-N-(3-morpholin-4-ylpropyl)benzamide

C15H23N3O2 — CID 62167538

IUPAC4-(methylamino)-N-(3-morpholin-4-ylpropyl)benzamide
SMILESCNc1ccc(C(=O)NCCCN2CCOCC2)cc1
InChIInChI=1S/C15H23N3O2/c1-16-14-5-3-13(4-6-14)15(19)17-7-2-8-18-9-11-20-12-10-18/h3-6,16H,2,7-12H2,1H3,(H,17,19)
InChIKeyIFWKZHFQVVUQAV-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.18
Rot. Bonds6

About 4-(methylamino)-N-(3-morpholin-4-ylpropyl)benzamide

4-(methylamino)-N-(3-morpholin-4-ylpropyl)benzamide (PubChem CID 62167538) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 4-(methylamino)-N-(3-morpholin-4-ylpropyl)benzamide.

Molecular Properties

Compound Name4-(methylamino)-N-(3-morpholin-4-ylpropyl)benzamide
PubChem CID62167538
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name4-(methylamino)-N-(3-morpholin-4-ylpropyl)benzamide
SMILESCNc1ccc(C(=O)NCCCN2CCOCC2)cc1
InChIInChI=1S/C15H23N3O2/c1-16-14-5-3-13(4-6-14)15(19)17-7-2-8-18-9-11-20-12-10-18/h3-6,16H,2,7-12H2,1H3,(H,17,19)
InChIKeyIFWKZHFQVVUQAV-UHFFFAOYSA-N
XLogP1.18
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-N,4-N-bis(3-morpholin-4-ylpropyl)benzene-1,4-dicarboxamide;hydrochloride
CID 54609927
4-bromo-N-(3-morpholin-4-ylpropyl)benzamide
CID 2298646
4-(chloromethyl)-N-(3-morpholin-4-ylpropyl)benzamide
CID 43168028
4-(2-methylpropyl)-N-(3-morpholin-4-ylpropyl)benzamide
CID 59001075
4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(3-morpholin-4-ylpropyl)benzamide
CID 71708502
4-(ethylamino)-N-(2-morpholin-4-ylethyl)benzamide
CID 62166054
6-methyl-N-(3-morpholin-4-ylpropyl)naphthalene-2-carboxamide
CID 142825714
4-(methylamino)-N-(2-piperidin-1-ylethyl)benzamide
CID 62173827
4-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 803484
3,4-dichloro-N-(3-morpholin-4-ylpropyl)benzamide
CID 3328171
4-[(4-methylpiperidin-1-yl)methyl]-N-(3-morpholin-4-ylpropyl)benzamide
CID 92682310
2-N,5-N-bis(3-morpholin-4-ylpropyl)pyridine-2,5-dicarboxamide
CID 4595283

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-N-(3-morpholin-4-ylpropyl)benzamide?
The IUPAC name of 4-(methylamino)-N-(3-morpholin-4-ylpropyl)benzamide (CID 62167538) is 4-(methylamino)-N-(3-morpholin-4-ylpropyl)benzamide.
What is the SMILES notation for 4-(methylamino)-N-(3-morpholin-4-ylpropyl)benzamide?
The canonical SMILES for 4-(methylamino)-N-(3-morpholin-4-ylpropyl)benzamide is CNc1ccc(C(=O)NCCCN2CCOCC2)cc1.
What is the InChIKey of 4-(methylamino)-N-(3-morpholin-4-ylpropyl)benzamide?
The InChIKey is IFWKZHFQVVUQAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-16-14-5-3-13(4-6-14)15(19)17-7-2-8-18-9-11-20-12-10-18/h3-6,16H,2,7-12H2,1H3,(H,17,19).
What are the key properties of 4-(methylamino)-N-(3-morpholin-4-ylpropyl)benzamide?
4-(methylamino)-N-(3-morpholin-4-ylpropyl)benzamide has a molecular weight of 277.37 g/mol, XLogP of 1.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-N-(3-morpholin-4-ylpropyl)benzamide is sourced from PubChem (CID 62167538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).