N-[[3-(aminomethyl)phenyl]methyl]-3-benzamido-4-(3,5-dimethylmorpholin-4-yl)benzamide

C28H32N4O3 — CID 23905336

IUPACN-[[3-(aminomethyl)phenyl]methyl]-3-benzamido-4-(3,5-dimethylmorpholin-4-yl)benzamide
SMILESCC1COCC(C)N1c1ccc(C(=O)NCc2cccc(CN)c2)cc1NC(=O)c1ccccc1
InChIInChI=1S/C28H32N4O3/c1-19-17-35-18-20(2)32(19)26-12-11-24(14-25(26)31-28(34)23-9-4-3-5-10-23)27(33)30-16-22-8-6-7-21(13-22)15-29/h3-14,19-20H,15-18,29H2,1-2H3,(H,30,33)(H,31,34)
InChIKeyATCLEDSWNIJNHI-UHFFFAOYSA-N
MW472.59 g/mol
LogP3.94
Rot. Bonds7

About N-[[3-(aminomethyl)phenyl]methyl]-3-benzamido-4-(3,5-dimethylmorpholin-4-yl)benzamide

N-[[3-(aminomethyl)phenyl]methyl]-3-benzamido-4-(3,5-dimethylmorpholin-4-yl)benzamide (PubChem CID 23905336) has the molecular formula C28H32N4O3 and a molecular weight of 472.59 g/mol. Its IUPAC name is N-[[3-(aminomethyl)phenyl]methyl]-3-benzamido-4-(3,5-dimethylmorpholin-4-yl)benzamide.

Molecular Properties

Compound NameN-[[3-(aminomethyl)phenyl]methyl]-3-benzamido-4-(3,5-dimethylmorpholin-4-yl)benzamide
PubChem CID23905336
Molecular FormulaC28H32N4O3
Molecular Weight472.59 g/mol
Exact Mass472.25
IUPAC NameN-[[3-(aminomethyl)phenyl]methyl]-3-benzamido-4-(3,5-dimethylmorpholin-4-yl)benzamide
SMILESCC1COCC(C)N1c1ccc(C(=O)NCc2cccc(CN)c2)cc1NC(=O)c1ccccc1
InChIInChI=1S/C28H32N4O3/c1-19-17-35-18-20(2)32(19)26-12-11-24(14-25(26)31-28(34)23-9-4-3-5-10-23)27(33)30-16-22-8-6-7-21(13-22)15-29/h3-14,19-20H,15-18,29H2,1-2H3,(H,30,33)(H,31,34)
InChIKeyATCLEDSWNIJNHI-UHFFFAOYSA-N
XLogP3.94
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.59
LogP ≤ 53.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[3-benzamido-4-(3,5-dimethylmorpholin-4-yl)benzoyl]amino]-3-(4-methylphenyl)propanoic acid
CID 23995452
N-[[4-(aminomethyl)phenyl]methyl]-3-benzamido-4-methylbenzamide
CID 23968860
N-[[3-(aminomethyl)phenyl]methyl]benzamide;vanadium;hydroxide;hydrate
CID 25062030
4-(aminomethyl)-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide
CID 103796375
N-[5-[[4-(aminomethyl)phenyl]methylcarbamoyl]-2-chlorophenyl]furan-2-carboxamide
CID 23938739
3-benzamido-N-[(4-methylphenyl)methyl]-4-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)benzamide
CID 24978966
N-[[4-(aminomethyl)phenyl]methyl]-3-[(3-fluorobenzoyl)amino]-4-methylbenzamide
CID 23768618
N-[5-[(3-methoxyphenyl)methylcarbamoyl]-2-[4-(2-methylphenyl)piperazin-1-yl]phenyl]furan-2-carboxamide
CID 71233971
N-[[3-(aminomethyl)phenyl]methyl]-1-(3-cyclopentylpropanoyl)-2-methyl-3-oxo-2,4-dihydroquinoxaline-6-carboxamide
CID 23937219
3-(benzamidomethyl)benzoic acid;ethane
CID 90875099
2-[[3-(aminomethyl)benzoyl]amino]benzoic acid
CID 82546564
4-N-(2-methylphenyl)-1-N-[(3-methylphenyl)methyl]benzene-1,4-dicarboxamide
CID 109046884

Frequently Asked Questions

What is the IUPAC name of N-[[3-(aminomethyl)phenyl]methyl]-3-benzamido-4-(3,5-dimethylmorpholin-4-yl)benzamide?
The IUPAC name of N-[[3-(aminomethyl)phenyl]methyl]-3-benzamido-4-(3,5-dimethylmorpholin-4-yl)benzamide (CID 23905336) is N-[[3-(aminomethyl)phenyl]methyl]-3-benzamido-4-(3,5-dimethylmorpholin-4-yl)benzamide.
What is the SMILES notation for N-[[3-(aminomethyl)phenyl]methyl]-3-benzamido-4-(3,5-dimethylmorpholin-4-yl)benzamide?
The canonical SMILES for N-[[3-(aminomethyl)phenyl]methyl]-3-benzamido-4-(3,5-dimethylmorpholin-4-yl)benzamide is CC1COCC(C)N1c1ccc(C(=O)NCc2cccc(CN)c2)cc1NC(=O)c1ccccc1.
What is the InChIKey of N-[[3-(aminomethyl)phenyl]methyl]-3-benzamido-4-(3,5-dimethylmorpholin-4-yl)benzamide?
The InChIKey is ATCLEDSWNIJNHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N4O3/c1-19-17-35-18-20(2)32(19)26-12-11-24(14-25(26)31-28(34)23-9-4-3-5-10-23)27(33)30-16-22-8-6-7-21(13-22)15-29/h3-14,19-20H,15-18,29H2,1-2H3,(H,30,33)(H,31,34).
What are the key properties of N-[[3-(aminomethyl)phenyl]methyl]-3-benzamido-4-(3,5-dimethylmorpholin-4-yl)benzamide?
N-[[3-(aminomethyl)phenyl]methyl]-3-benzamido-4-(3,5-dimethylmorpholin-4-yl)benzamide has a molecular weight of 472.59 g/mol, XLogP of 3.94, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(aminomethyl)phenyl]methyl]-3-benzamido-4-(3,5-dimethylmorpholin-4-yl)benzamide is sourced from PubChem (CID 23905336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).