4-[(4-methyl-2-morpholin-4-ylpentyl)carbamoylamino]-N-prop-2-enylbenzamide

C21H32N4O3 — CID 55834797

IUPAC4-[(4-methyl-2-morpholin-4-ylpentyl)carbamoylamino]-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccc(NC(=O)NCC(CC(C)C)N2CCOCC2)cc1
InChIInChI=1S/C21H32N4O3/c1-4-9-22-20(26)17-5-7-18(8-6-17)24-21(27)23-15-19(14-16(2)3)25-10-12-28-13-11-25/h4-8,16,19H,1,9-15H2,2-3H3,(H,22,26)(H2,23,24,27)
InChIKeyPJUQQZMDXQMXQL-UHFFFAOYSA-N
MW388.51 g/mol
LogP2.47
Rot. Bonds9

About 4-[(4-methyl-2-morpholin-4-ylpentyl)carbamoylamino]-N-prop-2-enylbenzamide

4-[(4-methyl-2-morpholin-4-ylpentyl)carbamoylamino]-N-prop-2-enylbenzamide (PubChem CID 55834797) has the molecular formula C21H32N4O3 and a molecular weight of 388.51 g/mol. Its IUPAC name is 4-[(4-methyl-2-morpholin-4-ylpentyl)carbamoylamino]-N-prop-2-enylbenzamide.

Molecular Properties

Compound Name4-[(4-methyl-2-morpholin-4-ylpentyl)carbamoylamino]-N-prop-2-enylbenzamide
PubChem CID55834797
Molecular FormulaC21H32N4O3
Molecular Weight388.51 g/mol
Exact Mass388.25
IUPAC Name4-[(4-methyl-2-morpholin-4-ylpentyl)carbamoylamino]-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccc(NC(=O)NCC(CC(C)C)N2CCOCC2)cc1
InChIInChI=1S/C21H32N4O3/c1-4-9-22-20(26)17-5-7-18(8-6-17)24-21(27)23-15-19(14-16(2)3)25-10-12-28-13-11-25/h4-8,16,19H,1,9-15H2,2-3H3,(H,22,26)(H2,23,24,27)
InChIKeyPJUQQZMDXQMXQL-UHFFFAOYSA-N
XLogP2.47
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(methanesulfonamido)-N-[(2R)-4-methyl-2-morpholin-4-ylpentyl]benzamide
CID 25331278
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-methyl-2-morpholin-4-ylpentyl)urea
CID 55520723
1-[4-(1-methylimidazole-2-carbonyl)phenyl]-3-[(2R)-4-methyl-2-morpholin-4-ylpentyl]urea
CID 52516653
4-(difluoromethoxy)-N-(4-methyl-2-morpholin-4-ylpentyl)benzamide
CID 134027068
N-[2-methoxy-4-[(4-methyl-2-morpholin-4-ylpentyl)carbamoylamino]phenyl]acetamide
CID 55744114
6-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)pyridine-3-carboxamide
CID 43050246
N-(4-methyl-2-morpholin-4-ylpentyl)-4-(phenylsulfamoyl)benzamide
CID 43044286
6-chloro-N-(4-methyl-2-morpholin-4-ylpentyl)pyridine-3-carboxamide
CID 134027027
4-ethoxy-N-[2-[(4-methyl-2-morpholin-4-ylpentyl)amino]-2-oxoethyl]benzamide
CID 55520878
4-[(2,5-dimethylphenyl)sulfonylamino]-N-(4-methyl-2-morpholin-4-ylpentyl)benzamide
CID 43044296
1-[3-fluoro-4-(4-methyl-1,4-diazepan-1-yl)phenyl]-3-[(2S)-4-methyl-2-morpholin-4-ylpentyl]urea
CID 52518349
N-(4-methyl-2-morpholin-4-ylpentyl)-1H-pyrazole-4-carboxamide
CID 60786494

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methyl-2-morpholin-4-ylpentyl)carbamoylamino]-N-prop-2-enylbenzamide?
The IUPAC name of 4-[(4-methyl-2-morpholin-4-ylpentyl)carbamoylamino]-N-prop-2-enylbenzamide (CID 55834797) is 4-[(4-methyl-2-morpholin-4-ylpentyl)carbamoylamino]-N-prop-2-enylbenzamide.
What is the SMILES notation for 4-[(4-methyl-2-morpholin-4-ylpentyl)carbamoylamino]-N-prop-2-enylbenzamide?
The canonical SMILES for 4-[(4-methyl-2-morpholin-4-ylpentyl)carbamoylamino]-N-prop-2-enylbenzamide is C=CCNC(=O)c1ccc(NC(=O)NCC(CC(C)C)N2CCOCC2)cc1.
What is the InChIKey of 4-[(4-methyl-2-morpholin-4-ylpentyl)carbamoylamino]-N-prop-2-enylbenzamide?
The InChIKey is PJUQQZMDXQMXQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O3/c1-4-9-22-20(26)17-5-7-18(8-6-17)24-21(27)23-15-19(14-16(2)3)25-10-12-28-13-11-25/h4-8,16,19H,1,9-15H2,2-3H3,(H,22,26)(H2,23,24,27).
What are the key properties of 4-[(4-methyl-2-morpholin-4-ylpentyl)carbamoylamino]-N-prop-2-enylbenzamide?
4-[(4-methyl-2-morpholin-4-ylpentyl)carbamoylamino]-N-prop-2-enylbenzamide has a molecular weight of 388.51 g/mol, XLogP of 2.47, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methyl-2-morpholin-4-ylpentyl)carbamoylamino]-N-prop-2-enylbenzamide is sourced from PubChem (CID 55834797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).