N-[4-(dimethylamino)-3-[[2-ethylbutanoyl(propyl)amino]methyl]phenyl]-2-methoxybenzamide

C26H37N3O3 — CID 42882328

IUPACN-[4-(dimethylamino)-3-[[2-ethylbutanoyl(propyl)amino]methyl]phenyl]-2-methoxybenzamide
SMILESCCCN(Cc1cc(NC(=O)c2ccccc2OC)ccc1N(C)C)C(=O)C(CC)CC
InChIInChI=1S/C26H37N3O3/c1-7-16-29(26(31)19(8-2)9-3)18-20-17-21(14-15-23(20)28(4)5)27-25(30)22-12-10-11-13-24(22)32-6/h10-15,17,19H,7-9,16,18H2,1-6H3,(H,27,30)
InChIKeyXGLIMHAXLIDBRF-UHFFFAOYSA-N
MW439.60 g/mol
LogP5.19
Rot. Bonds11

About N-[4-(dimethylamino)-3-[[2-ethylbutanoyl(propyl)amino]methyl]phenyl]-2-methoxybenzamide

N-[4-(dimethylamino)-3-[[2-ethylbutanoyl(propyl)amino]methyl]phenyl]-2-methoxybenzamide (PubChem CID 42882328) has the molecular formula C26H37N3O3 and a molecular weight of 439.60 g/mol. Its IUPAC name is N-[4-(dimethylamino)-3-[[2-ethylbutanoyl(propyl)amino]methyl]phenyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)-3-[[2-ethylbutanoyl(propyl)amino]methyl]phenyl]-2-methoxybenzamide
PubChem CID42882328
Molecular FormulaC26H37N3O3
Molecular Weight439.60 g/mol
Exact Mass439.28
IUPAC NameN-[4-(dimethylamino)-3-[[2-ethylbutanoyl(propyl)amino]methyl]phenyl]-2-methoxybenzamide
SMILESCCCN(Cc1cc(NC(=O)c2ccccc2OC)ccc1N(C)C)C(=O)C(CC)CC
InChIInChI=1S/C26H37N3O3/c1-7-16-29(26(31)19(8-2)9-3)18-20-17-21(14-15-23(20)28(4)5)27-25(30)22-12-10-11-13-24(22)32-6/h10-15,17,19H,7-9,16,18H2,1-6H3,(H,27,30)
InChIKeyXGLIMHAXLIDBRF-UHFFFAOYSA-N
XLogP5.19
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.60
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-(dimethylamino)-5-[(2-methoxybenzoyl)amino]-N-propylbenzamide
CID 4520779
N-[4-(dimethylamino)-3-[[2,2-dimethylpropanoyl-[(1R)-1-phenylethyl]amino]methyl]phenyl]-2-methoxybenzamide
CID 93019440
N-[4-(dimethylamino)-3-[[2-ethylbutanoyl(furan-2-ylmethyl)amino]methyl]phenyl]furan-2-carboxamide
CID 42817244
N-[[2-(dimethylamino)-5-[(2-methoxybenzoyl)amino]phenyl]methyl]-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide
CID 46111147
2-(dimethylamino)-5-[(2-methoxybenzoyl)amino]-N-(2-morpholin-4-ylethyl)benzamide
CID 3531074
N-[3-[[[(2S)-butan-2-yl]-(4-methoxybenzoyl)amino]methyl]-4-(dimethylamino)phenyl]-2-chlorobenzamide
CID 93128214
N-butan-2-yl-2-methoxybenzamide
CID 3117660
2-methoxy-N-[4-[4-[(2-methoxybenzoyl)amino]phenyl]phenyl]benzamide
CID 3299583
N-[[2-(dimethylamino)-5-[(2-methoxyacetyl)amino]phenyl]methyl]-2,2-dimethyl-N-propylpropanamide
CID 42816419
N-(3-amino-4-ethoxyphenyl)-2-methoxybenzamide
CID 70635969
N-[4-(N-ethylanilino)phenyl]-2-methoxybenzamide
CID 112986547
N-butan-2-yl-2-[(2-methoxybenzoyl)amino]benzamide
CID 3936748

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)-3-[[2-ethylbutanoyl(propyl)amino]methyl]phenyl]-2-methoxybenzamide?
The IUPAC name of N-[4-(dimethylamino)-3-[[2-ethylbutanoyl(propyl)amino]methyl]phenyl]-2-methoxybenzamide (CID 42882328) is N-[4-(dimethylamino)-3-[[2-ethylbutanoyl(propyl)amino]methyl]phenyl]-2-methoxybenzamide.
What is the SMILES notation for N-[4-(dimethylamino)-3-[[2-ethylbutanoyl(propyl)amino]methyl]phenyl]-2-methoxybenzamide?
The canonical SMILES for N-[4-(dimethylamino)-3-[[2-ethylbutanoyl(propyl)amino]methyl]phenyl]-2-methoxybenzamide is CCCN(Cc1cc(NC(=O)c2ccccc2OC)ccc1N(C)C)C(=O)C(CC)CC.
What is the InChIKey of N-[4-(dimethylamino)-3-[[2-ethylbutanoyl(propyl)amino]methyl]phenyl]-2-methoxybenzamide?
The InChIKey is XGLIMHAXLIDBRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N3O3/c1-7-16-29(26(31)19(8-2)9-3)18-20-17-21(14-15-23(20)28(4)5)27-25(30)22-12-10-11-13-24(22)32-6/h10-15,17,19H,7-9,16,18H2,1-6H3,(H,27,30).
What are the key properties of N-[4-(dimethylamino)-3-[[2-ethylbutanoyl(propyl)amino]methyl]phenyl]-2-methoxybenzamide?
N-[4-(dimethylamino)-3-[[2-ethylbutanoyl(propyl)amino]methyl]phenyl]-2-methoxybenzamide has a molecular weight of 439.60 g/mol, XLogP of 5.19, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)-3-[[2-ethylbutanoyl(propyl)amino]methyl]phenyl]-2-methoxybenzamide is sourced from PubChem (CID 42882328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).