N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]-3-(propan-2-ylamino)benzamide

C24H32N4O3 — CID 86937453

IUPACN-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]-3-(propan-2-ylamino)benzamide
SMILESCC(C)Nc1cccc(C(=O)NCc2cccc(NC(=O)CCN3CCOCC3)c2)c1
InChIInChI=1S/C24H32N4O3/c1-18(2)26-22-8-4-6-20(16-22)24(30)25-17-19-5-3-7-21(15-19)27-23(29)9-10-28-11-13-31-14-12-28/h3-8,15-16,18,26H,9-14,17H2,1-2H3,(H,25,30)(H,27,29)
InChIKeyRIZOVXQNJRHYNZ-UHFFFAOYSA-N
MW424.55 g/mol
LogP3.10
Rot. Bonds9

About N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]-3-(propan-2-ylamino)benzamide

N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]-3-(propan-2-ylamino)benzamide (PubChem CID 86937453) has the molecular formula C24H32N4O3 and a molecular weight of 424.55 g/mol. Its IUPAC name is N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]-3-(propan-2-ylamino)benzamide.

Molecular Properties

Compound NameN-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]-3-(propan-2-ylamino)benzamide
PubChem CID86937453
Molecular FormulaC24H32N4O3
Molecular Weight424.55 g/mol
Exact Mass424.25
IUPAC NameN-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]-3-(propan-2-ylamino)benzamide
SMILESCC(C)Nc1cccc(C(=O)NCc2cccc(NC(=O)CCN3CCOCC3)c2)c1
InChIInChI=1S/C24H32N4O3/c1-18(2)26-22-8-4-6-20(16-22)24(30)25-17-19-5-3-7-21(15-19)27-23(29)9-10-28-11-13-31-14-12-28/h3-8,15-16,18,26H,9-14,17H2,1-2H3,(H,25,30)(H,27,29)
InChIKeyRIZOVXQNJRHYNZ-UHFFFAOYSA-N
XLogP3.10
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.55
LogP ≤ 53.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-methylsulfonyl-N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]benzamide
CID 55887600
N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]naphthalene-1-carboxamide
CID 60536022
1-methyl-N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]indole-3-carboxamide
CID 55991087
N-[3-[[[N'-methyl-N-(3-methylbutan-2-yl)carbamimidoyl]amino]methyl]phenyl]-3-morpholin-4-ylpropanamide;hydroiodide
CID 111000690
5-amino-2-methyl-N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]benzamide;dihydrochloride
CID 120642238
N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]-2-(oxolan-2-ylmethoxy)propanamide
CID 48860718
3-morpholin-4-yl-N-[3-[[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]methyl]phenyl]propanamide
CID 55946576
1-amino-N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119849215
2-fluoro-4-methoxy-N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]benzamide
CID 55888231
4-(benzimidazol-1-yl)-N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]benzamide
CID 55945184
N-[3-[[[N-(2-ethylbutyl)-N'-methylcarbamimidoyl]amino]methyl]phenyl]-3-morpholin-4-ylpropanamide
CID 111890435
3-morpholin-4-yl-N-[3-[[(2-pyrrolidin-2-ylacetyl)amino]methyl]phenyl]propanamide;dihydrochloride
CID 119849221

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]-3-(propan-2-ylamino)benzamide?
The IUPAC name of N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]-3-(propan-2-ylamino)benzamide (CID 86937453) is N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]-3-(propan-2-ylamino)benzamide.
What is the SMILES notation for N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]-3-(propan-2-ylamino)benzamide?
The canonical SMILES for N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]-3-(propan-2-ylamino)benzamide is CC(C)Nc1cccc(C(=O)NCc2cccc(NC(=O)CCN3CCOCC3)c2)c1.
What is the InChIKey of N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]-3-(propan-2-ylamino)benzamide?
The InChIKey is RIZOVXQNJRHYNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O3/c1-18(2)26-22-8-4-6-20(16-22)24(30)25-17-19-5-3-7-21(15-19)27-23(29)9-10-28-11-13-31-14-12-28/h3-8,15-16,18,26H,9-14,17H2,1-2H3,(H,25,30)(H,27,29).
What are the key properties of N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]-3-(propan-2-ylamino)benzamide?
N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]-3-(propan-2-ylamino)benzamide has a molecular weight of 424.55 g/mol, XLogP of 3.10, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]-3-(propan-2-ylamino)benzamide is sourced from PubChem (CID 86937453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).