4-[[cyclopropyl-(3-morpholin-4-yl-3-oxopropyl)amino]methyl]benzamide

C18H25N3O3 — CID 46479991

IUPAC4-[[cyclopropyl-(3-morpholin-4-yl-3-oxopropyl)amino]methyl]benzamide
SMILESNC(=O)c1ccc(CN(CCC(=O)N2CCOCC2)C2CC2)cc1
InChIInChI=1S/C18H25N3O3/c19-18(23)15-3-1-14(2-4-15)13-21(16-5-6-16)8-7-17(22)20-9-11-24-12-10-20/h1-4,16H,5-13H2,(H2,19,23)
InChIKeyRMNOFJHRRFZMJC-UHFFFAOYSA-N
MW331.42 g/mol
LogP1.00
Rot. Bonds7

About 4-[[cyclopropyl-(3-morpholin-4-yl-3-oxopropyl)amino]methyl]benzamide

4-[[cyclopropyl-(3-morpholin-4-yl-3-oxopropyl)amino]methyl]benzamide (PubChem CID 46479991) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is 4-[[cyclopropyl-(3-morpholin-4-yl-3-oxopropyl)amino]methyl]benzamide.

Molecular Properties

Compound Name4-[[cyclopropyl-(3-morpholin-4-yl-3-oxopropyl)amino]methyl]benzamide
PubChem CID46479991
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Name4-[[cyclopropyl-(3-morpholin-4-yl-3-oxopropyl)amino]methyl]benzamide
SMILESNC(=O)c1ccc(CN(CCC(=O)N2CCOCC2)C2CC2)cc1
InChIInChI=1S/C18H25N3O3/c19-18(23)15-3-1-14(2-4-15)13-21(16-5-6-16)8-7-17(22)20-9-11-24-12-10-20/h1-4,16H,5-13H2,(H2,19,23)
InChIKeyRMNOFJHRRFZMJC-UHFFFAOYSA-N
XLogP1.00
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-carbamoylphenyl)methyl-cyclopropylamino]propanoic acid
CID 60840216
4-[(4-carbamoylphenyl)methyl-cyclopropylamino]butanoic acid
CID 119134489
4-[[cyclopropyl-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]amino]methyl]benzamide
CID 46567938
4-[[cyclopropyl-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]amino]methyl]benzamide
CID 46572351
4-[[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]methyl]benzamide
CID 34710306
3-[(4-aminophenyl)methyl-cyclopropylamino]propanamide
CID 43460663
2-[(3-aminophenyl)methyl-cyclopropylamino]-1-morpholin-4-ylethanone
CID 43460799
2-[4-[2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]acetyl]piperazin-1-yl]-1-morpholin-4-ylethanone
CID 78818597
4-[[(4-aminocyclohexyl)-ethylamino]methyl]benzamide
CID 79115625
3-[cyclopropyl-(2-morpholin-4-yl-2-oxoethyl)amino]propanoic acid
CID 60839193
2-[4-(aminomethyl)-N-cyclopropylanilino]-1-morpholin-4-ylethanone
CID 43276249
4-[[methyl-(3-morpholin-4-yl-3-oxopropyl)amino]methyl]benzonitrile
CID 56796714

Frequently Asked Questions

What is the IUPAC name of 4-[[cyclopropyl-(3-morpholin-4-yl-3-oxopropyl)amino]methyl]benzamide?
The IUPAC name of 4-[[cyclopropyl-(3-morpholin-4-yl-3-oxopropyl)amino]methyl]benzamide (CID 46479991) is 4-[[cyclopropyl-(3-morpholin-4-yl-3-oxopropyl)amino]methyl]benzamide.
What is the SMILES notation for 4-[[cyclopropyl-(3-morpholin-4-yl-3-oxopropyl)amino]methyl]benzamide?
The canonical SMILES for 4-[[cyclopropyl-(3-morpholin-4-yl-3-oxopropyl)amino]methyl]benzamide is NC(=O)c1ccc(CN(CCC(=O)N2CCOCC2)C2CC2)cc1.
What is the InChIKey of 4-[[cyclopropyl-(3-morpholin-4-yl-3-oxopropyl)amino]methyl]benzamide?
The InChIKey is RMNOFJHRRFZMJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3/c19-18(23)15-3-1-14(2-4-15)13-21(16-5-6-16)8-7-17(22)20-9-11-24-12-10-20/h1-4,16H,5-13H2,(H2,19,23).
What are the key properties of 4-[[cyclopropyl-(3-morpholin-4-yl-3-oxopropyl)amino]methyl]benzamide?
4-[[cyclopropyl-(3-morpholin-4-yl-3-oxopropyl)amino]methyl]benzamide has a molecular weight of 331.42 g/mol, XLogP of 1.00, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[cyclopropyl-(3-morpholin-4-yl-3-oxopropyl)amino]methyl]benzamide is sourced from PubChem (CID 46479991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).