N-[3-[(3-ethylphenyl)methylamino]propyl]-3-[[2-hydroxyethyl(methyl)amino]methyl]-5-methylbenzamide

C24H35N3O2 — CID 142242677

IUPACN-[3-[(3-ethylphenyl)methylamino]propyl]-3-[[2-hydroxyethyl(methyl)amino]methyl]-5-methylbenzamide
SMILESCCc1cccc(CNCCCNC(=O)c2cc(C)cc(CN(C)CCO)c2)c1
InChIInChI=1S/C24H35N3O2/c1-4-20-7-5-8-21(15-20)17-25-9-6-10-26-24(29)23-14-19(2)13-22(16-23)18-27(3)11-12-28/h5,7-8,13-16,25,28H,4,6,9-12,17-18H2,1-3H3,(H,26,29)
InChIKeyMTFFZEUJXXQYEQ-UHFFFAOYSA-N
MW397.56 g/mol
LogP2.89
Rot. Bonds12

About N-[3-[(3-ethylphenyl)methylamino]propyl]-3-[[2-hydroxyethyl(methyl)amino]methyl]-5-methylbenzamide

N-[3-[(3-ethylphenyl)methylamino]propyl]-3-[[2-hydroxyethyl(methyl)amino]methyl]-5-methylbenzamide (PubChem CID 142242677) has the molecular formula C24H35N3O2 and a molecular weight of 397.56 g/mol. Its IUPAC name is N-[3-[(3-ethylphenyl)methylamino]propyl]-3-[[2-hydroxyethyl(methyl)amino]methyl]-5-methylbenzamide.

Molecular Properties

Compound NameN-[3-[(3-ethylphenyl)methylamino]propyl]-3-[[2-hydroxyethyl(methyl)amino]methyl]-5-methylbenzamide
PubChem CID142242677
Molecular FormulaC24H35N3O2
Molecular Weight397.56 g/mol
Exact Mass397.27
IUPAC NameN-[3-[(3-ethylphenyl)methylamino]propyl]-3-[[2-hydroxyethyl(methyl)amino]methyl]-5-methylbenzamide
SMILESCCc1cccc(CNCCCNC(=O)c2cc(C)cc(CN(C)CCO)c2)c1
InChIInChI=1S/C24H35N3O2/c1-4-20-7-5-8-21(15-20)17-25-9-6-10-26-24(29)23-14-19(2)13-22(16-23)18-27(3)11-12-28/h5,7-8,13-16,25,28H,4,6,9-12,17-18H2,1-3H3,(H,26,29)
InChIKeyMTFFZEUJXXQYEQ-UHFFFAOYSA-N
XLogP2.89
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.56
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[(3-ethylphenyl)methylamino]propyl]benzamide
CID 142242535
N-[3-[(3-ethylphenyl)methylamino]propyl]pyridine-3-carboxamide
CID 142242395
1,3-difluoro-5-methylbenzene;1-N-[3-[(3-ethylphenyl)methylamino]propyl]-3-N-methyl-3-N-propyl-5-(1,3-thiazol-2-yl)benzene-1,3-dicarboxamide
CID 142242779
N-[(2S)-1-(3,5-difluorophenyl)-4-[(3-ethylphenyl)methylamino]butan-2-yl]-3-methyl-5-[[methyl(2-methylpropyl)amino]methyl]benzamide
CID 142242501
3-N-[(3-ethylphenyl)methyl]-1-N,5-dimethylbenzene-1,3-dicarboxamide
CID 91172760
2-amino-N-[3-[(3-ethylphenyl)methylamino]propyl]acetamide
CID 142205419
3-fluoro-5-methyl-N-[3-(pyridin-3-ylmethylamino)propyl]benzamide
CID 86779903
N-[(2S,3R)-1-(3,5-difluorophenyl)-4-[(3-ethylphenyl)methylamino]-3-hydroxybutan-2-yl]-3-[[2-methoxyethyl(methyl)amino]methyl]-5-methylbenzamide;hydrochloride
CID 21086680
N-[(2S,3R)-1-(3,5-difluorophenyl)-4-[(3-ethylphenyl)methylamino]-3-hydroxybutan-2-yl]-3-[[2-methoxyethyl(methyl)amino]methyl]-5-methylbenzamide;dihydrochloride
CID 68610692
1-N-butyl-3-N-[(2S,3R)-1-(3,5-difluorophenyl)-4-[(3-ethylphenyl)methylamino]-3-hydroxybutan-2-yl]-5-methylbenzene-1,3-dicarboxamide
CID 69414664
N-[[3-(hydroxymethyl)phenyl]methyl]-3,5-dimethylbenzamide
CID 63311041
N-[2-[3-[(3-ethylphenyl)methylamino]propylamino]-2-oxoethyl]-4-(trifluoromethyl)benzamide
CID 142242776

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3-ethylphenyl)methylamino]propyl]-3-[[2-hydroxyethyl(methyl)amino]methyl]-5-methylbenzamide?
The IUPAC name of N-[3-[(3-ethylphenyl)methylamino]propyl]-3-[[2-hydroxyethyl(methyl)amino]methyl]-5-methylbenzamide (CID 142242677) is N-[3-[(3-ethylphenyl)methylamino]propyl]-3-[[2-hydroxyethyl(methyl)amino]methyl]-5-methylbenzamide.
What is the SMILES notation for N-[3-[(3-ethylphenyl)methylamino]propyl]-3-[[2-hydroxyethyl(methyl)amino]methyl]-5-methylbenzamide?
The canonical SMILES for N-[3-[(3-ethylphenyl)methylamino]propyl]-3-[[2-hydroxyethyl(methyl)amino]methyl]-5-methylbenzamide is CCc1cccc(CNCCCNC(=O)c2cc(C)cc(CN(C)CCO)c2)c1.
What is the InChIKey of N-[3-[(3-ethylphenyl)methylamino]propyl]-3-[[2-hydroxyethyl(methyl)amino]methyl]-5-methylbenzamide?
The InChIKey is MTFFZEUJXXQYEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N3O2/c1-4-20-7-5-8-21(15-20)17-25-9-6-10-26-24(29)23-14-19(2)13-22(16-23)18-27(3)11-12-28/h5,7-8,13-16,25,28H,4,6,9-12,17-18H2,1-3H3,(H,26,29).
What are the key properties of N-[3-[(3-ethylphenyl)methylamino]propyl]-3-[[2-hydroxyethyl(methyl)amino]methyl]-5-methylbenzamide?
N-[3-[(3-ethylphenyl)methylamino]propyl]-3-[[2-hydroxyethyl(methyl)amino]methyl]-5-methylbenzamide has a molecular weight of 397.56 g/mol, XLogP of 2.89, 12 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3-ethylphenyl)methylamino]propyl]-3-[[2-hydroxyethyl(methyl)amino]methyl]-5-methylbenzamide is sourced from PubChem (CID 142242677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).