1-N-[3-[[2-(diethylaminomethyl)phenyl]methylcarbamoyl]phenyl]-3-N-hydroxybenzene-1,3-dicarboxamide

C27H30N4O4 — CID 168510548

IUPAC1-N-[3-[[2-(diethylaminomethyl)phenyl]methylcarbamoyl]phenyl]-3-N-hydroxybenzene-1,3-dicarboxamide
SMILESCCN(CC)Cc1ccccc1CNC(=O)c1cccc(NC(=O)c2cccc(C(=O)NO)c2)c1
InChIInChI=1S/C27H30N4O4/c1-3-31(4-2)18-23-10-6-5-9-22(23)17-28-25(32)21-13-8-14-24(16-21)29-26(33)19-11-7-12-20(15-19)27(34)30-35/h5-16,35H,3-4,17-18H2,1-2H3,(H,28,32)(H,29,33)(H,30,34)
InChIKeyDQAVDNDLZPSMGW-UHFFFAOYSA-N
MW474.56 g/mol
LogP3.83
Rot. Bonds10

About 1-N-[3-[[2-(diethylaminomethyl)phenyl]methylcarbamoyl]phenyl]-3-N-hydroxybenzene-1,3-dicarboxamide

1-N-[3-[[2-(diethylaminomethyl)phenyl]methylcarbamoyl]phenyl]-3-N-hydroxybenzene-1,3-dicarboxamide (PubChem CID 168510548) has the molecular formula C27H30N4O4 and a molecular weight of 474.56 g/mol. Its IUPAC name is 1-N-[3-[[2-(diethylaminomethyl)phenyl]methylcarbamoyl]phenyl]-3-N-hydroxybenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-[3-[[2-(diethylaminomethyl)phenyl]methylcarbamoyl]phenyl]-3-N-hydroxybenzene-1,3-dicarboxamide
PubChem CID168510548
Molecular FormulaC27H30N4O4
Molecular Weight474.56 g/mol
Exact Mass474.23
IUPAC Name1-N-[3-[[2-(diethylaminomethyl)phenyl]methylcarbamoyl]phenyl]-3-N-hydroxybenzene-1,3-dicarboxamide
SMILESCCN(CC)Cc1ccccc1CNC(=O)c1cccc(NC(=O)c2cccc(C(=O)NO)c2)c1
InChIInChI=1S/C27H30N4O4/c1-3-31(4-2)18-23-10-6-5-9-22(23)17-28-25(32)21-13-8-14-24(16-21)29-26(33)19-11-7-12-20(15-19)27(34)30-35/h5-16,35H,3-4,17-18H2,1-2H3,(H,28,32)(H,29,33)(H,30,34)
InChIKeyDQAVDNDLZPSMGW-UHFFFAOYSA-N
XLogP3.83
TPSA110.77 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.56
LogP ≤ 53.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[(4-chlorobenzoyl)amino]-N-[[2-(diethylaminomethyl)phenyl]methyl]benzamide
CID 155664124
N-[[2-(diethylaminomethyl)phenyl]methyl]-3-methylbenzamide
CID 41439169
4-acetamido-N-[[2-(diethylaminomethyl)phenyl]methyl]benzamide
CID 17460581
3-N-(3-acetylphenyl)-1-N-[(2-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109054257
N-[[2-(diethylaminomethyl)phenyl]methyl]propanamide
CID 60674556
N-[[2-(diethylaminomethyl)phenyl]methyl]thiophene-3-carboxamide
CID 134022174
3-N-(3,4-dimethylphenyl)-1-N-[(2-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109054238
4-N-(3-acetylphenyl)-1-N-[(2-methylphenyl)methyl]benzene-1,4-dicarboxamide
CID 109046836
3-acetamido-N-[(2-fluorophenyl)methyl]benzamide
CID 8012881
3-[[4-(diethylaminomethyl)benzoyl]amino]-N,N-diethylbenzamide
CID 55645545
3-N-(3-methoxyphenyl)-1-N-[(2-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109054252
3-bromo-N-[[2-(diethylaminomethyl)phenyl]methyl]-4-ethoxy-5-methoxybenzamide
CID 26722982

Frequently Asked Questions

What is the IUPAC name of 1-N-[3-[[2-(diethylaminomethyl)phenyl]methylcarbamoyl]phenyl]-3-N-hydroxybenzene-1,3-dicarboxamide?
The IUPAC name of 1-N-[3-[[2-(diethylaminomethyl)phenyl]methylcarbamoyl]phenyl]-3-N-hydroxybenzene-1,3-dicarboxamide (CID 168510548) is 1-N-[3-[[2-(diethylaminomethyl)phenyl]methylcarbamoyl]phenyl]-3-N-hydroxybenzene-1,3-dicarboxamide.
What is the SMILES notation for 1-N-[3-[[2-(diethylaminomethyl)phenyl]methylcarbamoyl]phenyl]-3-N-hydroxybenzene-1,3-dicarboxamide?
The canonical SMILES for 1-N-[3-[[2-(diethylaminomethyl)phenyl]methylcarbamoyl]phenyl]-3-N-hydroxybenzene-1,3-dicarboxamide is CCN(CC)Cc1ccccc1CNC(=O)c1cccc(NC(=O)c2cccc(C(=O)NO)c2)c1.
What is the InChIKey of 1-N-[3-[[2-(diethylaminomethyl)phenyl]methylcarbamoyl]phenyl]-3-N-hydroxybenzene-1,3-dicarboxamide?
The InChIKey is DQAVDNDLZPSMGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O4/c1-3-31(4-2)18-23-10-6-5-9-22(23)17-28-25(32)21-13-8-14-24(16-21)29-26(33)19-11-7-12-20(15-19)27(34)30-35/h5-16,35H,3-4,17-18H2,1-2H3,(H,28,32)(H,29,33)(H,30,34).
What are the key properties of 1-N-[3-[[2-(diethylaminomethyl)phenyl]methylcarbamoyl]phenyl]-3-N-hydroxybenzene-1,3-dicarboxamide?
1-N-[3-[[2-(diethylaminomethyl)phenyl]methylcarbamoyl]phenyl]-3-N-hydroxybenzene-1,3-dicarboxamide has a molecular weight of 474.56 g/mol, XLogP of 3.83, 10 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[3-[[2-(diethylaminomethyl)phenyl]methylcarbamoyl]phenyl]-3-N-hydroxybenzene-1,3-dicarboxamide is sourced from PubChem (CID 168510548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).