N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]naphthalene-1-carboxamide

C25H27N3O3 — CID 60536022

IUPACN-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]naphthalene-1-carboxamide
SMILESO=C(CCN1CCOCC1)Nc1cccc(CNC(=O)c2cccc3ccccc23)c1
InChIInChI=1S/C25H27N3O3/c29-24(11-12-28-13-15-31-16-14-28)27-21-8-3-5-19(17-21)18-26-25(30)23-10-4-7-20-6-1-2-9-22(20)23/h1-10,17H,11-16,18H2,(H,26,30)(H,27,29)
InChIKeyVIHCZXZTXFRGIE-UHFFFAOYSA-N
MW417.51 g/mol
LogP3.43
Rot. Bonds7

About N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]naphthalene-1-carboxamide

N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]naphthalene-1-carboxamide (PubChem CID 60536022) has the molecular formula C25H27N3O3 and a molecular weight of 417.51 g/mol. Its IUPAC name is N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]naphthalene-1-carboxamide
PubChem CID60536022
Molecular FormulaC25H27N3O3
Molecular Weight417.51 g/mol
Exact Mass417.21
IUPAC NameN-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]naphthalene-1-carboxamide
SMILESO=C(CCN1CCOCC1)Nc1cccc(CNC(=O)c2cccc3ccccc23)c1
InChIInChI=1S/C25H27N3O3/c29-24(11-12-28-13-15-31-16-14-28)27-21-8-3-5-19(17-21)18-26-25(30)23-10-4-7-20-6-1-2-9-22(20)23/h1-10,17H,11-16,18H2,(H,26,30)(H,27,29)
InChIKeyVIHCZXZTXFRGIE-UHFFFAOYSA-N
XLogP3.43
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-morpholin-4-yl-N-[3-[[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]methyl]phenyl]propanamide
CID 55946576
1-methyl-N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]indole-3-carboxamide
CID 55991087
N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 55889391
5-amino-2-methyl-N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]benzamide;dihydrochloride
CID 120642238
2-fluoro-4-methoxy-N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]benzamide
CID 55888231
N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]-3-(propan-2-ylamino)benzamide
CID 86937453
3-methylsulfonyl-N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]benzamide
CID 55887600
4-(benzimidazol-1-yl)-N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]benzamide
CID 55945184
N-[3-[[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]methyl]phenyl]-3-morpholin-4-ylpropanamide
CID 55886714
1-amino-N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119849215
N-[3-[[[N'-methyl-N-(2-phenylethyl)carbamimidoyl]amino]methyl]phenyl]-3-morpholin-4-ylpropanamide
CID 111136263
N-[3-[[[2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetyl]amino]methyl]phenyl]-3-morpholin-4-ylpropanamide
CID 55887472

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]naphthalene-1-carboxamide?
The IUPAC name of N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]naphthalene-1-carboxamide (CID 60536022) is N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]naphthalene-1-carboxamide?
The canonical SMILES for N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]naphthalene-1-carboxamide is O=C(CCN1CCOCC1)Nc1cccc(CNC(=O)c2cccc3ccccc23)c1.
What is the InChIKey of N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]naphthalene-1-carboxamide?
The InChIKey is VIHCZXZTXFRGIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O3/c29-24(11-12-28-13-15-31-16-14-28)27-21-8-3-5-19(17-21)18-26-25(30)23-10-4-7-20-6-1-2-9-22(20)23/h1-10,17H,11-16,18H2,(H,26,30)(H,27,29).
What are the key properties of N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]naphthalene-1-carboxamide?
N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]naphthalene-1-carboxamide has a molecular weight of 417.51 g/mol, XLogP of 3.43, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]naphthalene-1-carboxamide is sourced from PubChem (CID 60536022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).