1-N-(2-aminophenyl)-4-N-benzyl-4-N-(2-hydroxyethyl)benzene-1,4-dicarboxamide

C23H23N3O3 — CID 25052283

IUPAC1-N-(2-aminophenyl)-4-N-benzyl-4-N-(2-hydroxyethyl)benzene-1,4-dicarboxamide
SMILESNc1ccccc1NC(=O)c1ccc(C(=O)N(CCO)Cc2ccccc2)cc1
InChIInChI=1S/C23H23N3O3/c24-20-8-4-5-9-21(20)25-22(28)18-10-12-19(13-11-18)23(29)26(14-15-27)16-17-6-2-1-3-7-17/h1-13,27H,14-16,24H2,(H,25,28)
InChIKeyHAVRUVUTFDQEDM-UHFFFAOYSA-N
MW389.46 g/mol
LogP3.16
Rot. Bonds7

About 1-N-(2-aminophenyl)-4-N-benzyl-4-N-(2-hydroxyethyl)benzene-1,4-dicarboxamide

1-N-(2-aminophenyl)-4-N-benzyl-4-N-(2-hydroxyethyl)benzene-1,4-dicarboxamide (PubChem CID 25052283) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is 1-N-(2-aminophenyl)-4-N-benzyl-4-N-(2-hydroxyethyl)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-(2-aminophenyl)-4-N-benzyl-4-N-(2-hydroxyethyl)benzene-1,4-dicarboxamide
PubChem CID25052283
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC Name1-N-(2-aminophenyl)-4-N-benzyl-4-N-(2-hydroxyethyl)benzene-1,4-dicarboxamide
SMILESNc1ccccc1NC(=O)c1ccc(C(=O)N(CCO)Cc2ccccc2)cc1
InChIInChI=1S/C23H23N3O3/c24-20-8-4-5-9-21(20)25-22(28)18-10-12-19(13-11-18)23(29)26(14-15-27)16-17-6-2-1-3-7-17/h1-13,27H,14-16,24H2,(H,25,28)
InChIKeyHAVRUVUTFDQEDM-UHFFFAOYSA-N
XLogP3.16
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminophenyl)-4-[[benzylcarbamoyl-[2-(dimethylamino)ethyl]amino]methyl]benzamide
CID 58001196
N-(2-aminophenyl)-4-[[2-hydroxyethyl(pyridin-3-ylmethyl)amino]methyl]benzamide
CID 11494562
4-[(N-acetylanilino)methyl]-N-(2-aminophenyl)benzamide
CID 11417056
N-(2-aminophenyl)-4-[[(2-phenylacetyl)amino]methyl]benzamide
CID 11348920
4-[(2-aminophenyl)carbamoyl]benzoic acid
CID 61408098
1-N,3-N-dibenzyl-1-N,3-N-bis(2-hydroxyethyl)benzene-1,3-dicarboxamide
CID 3309530
N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-N-(pyridin-3-ylmethyl)carbamate
CID 57350010
4-(acetamidomethyl)-N-benzyl-N-(2-hydroxyethyl)benzamide
CID 110880403
N-benzyl-3,4-dihydroxy-N-(2-hydroxyethyl)benzamide
CID 103955560
1-N-(2-aminophenyl)-4-N-[2-(diethylamino)ethyl]-4-N-methylbenzene-1,4-dicarboxamide
CID 25051606
N-(2-aminophenyl)-4-[3-hydroxy-1-(2-phenylethylcarbamoylamino)propyl]benzamide
CID 67421828
N'-benzyl-N,N,N'-tris(2-hydroxyethyl)oxamide
CID 108509868

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-aminophenyl)-4-N-benzyl-4-N-(2-hydroxyethyl)benzene-1,4-dicarboxamide?
The IUPAC name of 1-N-(2-aminophenyl)-4-N-benzyl-4-N-(2-hydroxyethyl)benzene-1,4-dicarboxamide (CID 25052283) is 1-N-(2-aminophenyl)-4-N-benzyl-4-N-(2-hydroxyethyl)benzene-1,4-dicarboxamide.
What is the SMILES notation for 1-N-(2-aminophenyl)-4-N-benzyl-4-N-(2-hydroxyethyl)benzene-1,4-dicarboxamide?
The canonical SMILES for 1-N-(2-aminophenyl)-4-N-benzyl-4-N-(2-hydroxyethyl)benzene-1,4-dicarboxamide is Nc1ccccc1NC(=O)c1ccc(C(=O)N(CCO)Cc2ccccc2)cc1.
What is the InChIKey of 1-N-(2-aminophenyl)-4-N-benzyl-4-N-(2-hydroxyethyl)benzene-1,4-dicarboxamide?
The InChIKey is HAVRUVUTFDQEDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c24-20-8-4-5-9-21(20)25-22(28)18-10-12-19(13-11-18)23(29)26(14-15-27)16-17-6-2-1-3-7-17/h1-13,27H,14-16,24H2,(H,25,28).
What are the key properties of 1-N-(2-aminophenyl)-4-N-benzyl-4-N-(2-hydroxyethyl)benzene-1,4-dicarboxamide?
1-N-(2-aminophenyl)-4-N-benzyl-4-N-(2-hydroxyethyl)benzene-1,4-dicarboxamide has a molecular weight of 389.46 g/mol, XLogP of 3.16, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-aminophenyl)-4-N-benzyl-4-N-(2-hydroxyethyl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 25052283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).