4-(4-ethylphenyl)-N-[2-[[hydroxy(2-methoxyethyl)carbamoyl]amino]ethyl]benzamide

C21H27N3O4 — CID 87914381

IUPAC4-(4-ethylphenyl)-N-[2-[[hydroxy(2-methoxyethyl)carbamoyl]amino]ethyl]benzamide
SMILESCCc1ccc(-c2ccc(C(=O)NCCNC(=O)N(O)CCOC)cc2)cc1
InChIInChI=1S/C21H27N3O4/c1-3-16-4-6-17(7-5-16)18-8-10-19(11-9-18)20(25)22-12-13-23-21(26)24(27)14-15-28-2/h4-11,27H,3,12-15H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyDSFQVECBJUWLFT-UHFFFAOYSA-N
MW385.46 g/mol
LogP2.69
Rot. Bonds9

About 4-(4-ethylphenyl)-N-[2-[[hydroxy(2-methoxyethyl)carbamoyl]amino]ethyl]benzamide

4-(4-ethylphenyl)-N-[2-[[hydroxy(2-methoxyethyl)carbamoyl]amino]ethyl]benzamide (PubChem CID 87914381) has the molecular formula C21H27N3O4 and a molecular weight of 385.46 g/mol. Its IUPAC name is 4-(4-ethylphenyl)-N-[2-[[hydroxy(2-methoxyethyl)carbamoyl]amino]ethyl]benzamide.

Molecular Properties

Compound Name4-(4-ethylphenyl)-N-[2-[[hydroxy(2-methoxyethyl)carbamoyl]amino]ethyl]benzamide
PubChem CID87914381
Molecular FormulaC21H27N3O4
Molecular Weight385.46 g/mol
Exact Mass385.20
IUPAC Name4-(4-ethylphenyl)-N-[2-[[hydroxy(2-methoxyethyl)carbamoyl]amino]ethyl]benzamide
SMILESCCc1ccc(-c2ccc(C(=O)NCCNC(=O)N(O)CCOC)cc2)cc1
InChIInChI=1S/C21H27N3O4/c1-3-16-4-6-17(7-5-16)18-8-10-19(11-9-18)20(25)22-12-13-23-21(26)24(27)14-15-28-2/h4-11,27H,3,12-15H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyDSFQVECBJUWLFT-UHFFFAOYSA-N
XLogP2.69
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(4-ethylphenyl)-N-[(2S,3R)-3-hydroxy-1-[2-[hydroxy(2-methoxyethylcarbamoyl)amino]ethylamino]-1-oxobutan-2-yl]benzamide
CID 59697916
4-(4-ethylphenyl)-N-[2-[hydroxy(2-pyridin-2-ylethylcarbamoyl)amino]ethyl]benzamide
CID 59697131
4-(4-ethylphenyl)-N-[2-[hydroxy-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]amino]ethyl]benzamide
CID 59697900
N-[2-[4-acetamidobutanoyl(hydroxy)amino]ethyl]-4-(4-ethylphenyl)benzamide
CID 58343315
N-(2-benzamidoethyl)-4-ethylbenzamide
CID 84532761
N-[2-[(4-chlorobenzoyl)amino]ethyl]-4-ethylbenzamide
CID 134039912
4-ethyl-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119499870
ethane;4-ethyl-N-propylbenzamide
CID 142831348
2-tert-butyl-3-[[[2-[[4-(4-ethylphenyl)benzoyl]amino]ethyl-hydroxycarbamoyl]amino]methyl]piperidine-1-carboxylic acid
CID 87837055
N-[(2S,3R)-1-[2-[2-cyanoethylcarbamoyl(hydroxy)amino]ethylamino]-3-hydroxy-1-oxobutan-2-yl]-4-(4-ethylphenyl)benzamide;methane
CID 159620953
4-(4-aminophenyl)-N-(2-methoxyethyl)benzamide
CID 91665664
N-(2-bromo-3-methoxypropyl)-4-ethylbenzamide
CID 114309833

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylphenyl)-N-[2-[[hydroxy(2-methoxyethyl)carbamoyl]amino]ethyl]benzamide?
The IUPAC name of 4-(4-ethylphenyl)-N-[2-[[hydroxy(2-methoxyethyl)carbamoyl]amino]ethyl]benzamide (CID 87914381) is 4-(4-ethylphenyl)-N-[2-[[hydroxy(2-methoxyethyl)carbamoyl]amino]ethyl]benzamide.
What is the SMILES notation for 4-(4-ethylphenyl)-N-[2-[[hydroxy(2-methoxyethyl)carbamoyl]amino]ethyl]benzamide?
The canonical SMILES for 4-(4-ethylphenyl)-N-[2-[[hydroxy(2-methoxyethyl)carbamoyl]amino]ethyl]benzamide is CCc1ccc(-c2ccc(C(=O)NCCNC(=O)N(O)CCOC)cc2)cc1.
What is the InChIKey of 4-(4-ethylphenyl)-N-[2-[[hydroxy(2-methoxyethyl)carbamoyl]amino]ethyl]benzamide?
The InChIKey is DSFQVECBJUWLFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O4/c1-3-16-4-6-17(7-5-16)18-8-10-19(11-9-18)20(25)22-12-13-23-21(26)24(27)14-15-28-2/h4-11,27H,3,12-15H2,1-2H3,(H,22,25)(H,23,26).
What are the key properties of 4-(4-ethylphenyl)-N-[2-[[hydroxy(2-methoxyethyl)carbamoyl]amino]ethyl]benzamide?
4-(4-ethylphenyl)-N-[2-[[hydroxy(2-methoxyethyl)carbamoyl]amino]ethyl]benzamide has a molecular weight of 385.46 g/mol, XLogP of 2.69, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylphenyl)-N-[2-[[hydroxy(2-methoxyethyl)carbamoyl]amino]ethyl]benzamide is sourced from PubChem (CID 87914381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).