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

C23H29N3O4 — CID 58343315

IUPACN-[2-[4-acetamidobutanoyl(hydroxy)amino]ethyl]-4-(4-ethylphenyl)benzamide
SMILESCCc1ccc(-c2ccc(C(=O)NCCN(O)C(=O)CCCNC(C)=O)cc2)cc1
InChIInChI=1S/C23H29N3O4/c1-3-18-6-8-19(9-7-18)20-10-12-21(13-11-20)23(29)25-15-16-26(30)22(28)5-4-14-24-17(2)27/h6-13,30H,3-5,14-16H2,1-2H3,(H,24,27)(H,25,29)
InChIKeyUAGLVKOBUHMODO-UHFFFAOYSA-N
MW411.50 g/mol
LogP2.78
Rot. Bonds10

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

N-[2-[4-acetamidobutanoyl(hydroxy)amino]ethyl]-4-(4-ethylphenyl)benzamide (PubChem CID 58343315) has the molecular formula C23H29N3O4 and a molecular weight of 411.50 g/mol. Its IUPAC name is N-[2-[4-acetamidobutanoyl(hydroxy)amino]ethyl]-4-(4-ethylphenyl)benzamide.

Molecular Properties

Compound NameN-[2-[4-acetamidobutanoyl(hydroxy)amino]ethyl]-4-(4-ethylphenyl)benzamide
PubChem CID58343315
Molecular FormulaC23H29N3O4
Molecular Weight411.50 g/mol
Exact Mass411.22
IUPAC NameN-[2-[4-acetamidobutanoyl(hydroxy)amino]ethyl]-4-(4-ethylphenyl)benzamide
SMILESCCc1ccc(-c2ccc(C(=O)NCCN(O)C(=O)CCCNC(C)=O)cc2)cc1
InChIInChI=1S/C23H29N3O4/c1-3-18-6-8-19(9-7-18)20-10-12-21(13-11-20)23(29)25-15-16-26(30)22(28)5-4-14-24-17(2)27/h6-13,30H,3-5,14-16H2,1-2H3,(H,24,27)(H,25,29)
InChIKeyUAGLVKOBUHMODO-UHFFFAOYSA-N
XLogP2.78
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.50
LogP ≤ 52.78
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-[2-[[hydroxy(2-methoxyethyl)carbamoyl]amino]ethyl]benzamide
CID 87914381
N-(3-acetamidopropyl)-4-phenylbenzamide
CID 38450168
4-(4-ethylphenyl)-N-[2-[hydroxy-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]amino]ethyl]benzamide
CID 59697900
5-[(4-ethylbenzoyl)amino]pentanoic acid
CID 62034291
4-(4-ethylphenyl)-N-[2-[hydroxy(2-pyridin-2-ylethylcarbamoyl)amino]ethyl]benzamide
CID 59697131
N-(4-chlorobutyl)-4-ethylbenzamide
CID 106845476
ethane;4-ethyl-N-propylbenzamide
CID 142831348
N-[3-(dibutylamino)propyl]-4-[4-[3-(dibutylamino)propylcarbamoyl]phenyl]benzamide
CID 139954581
N-(2-benzamidoethyl)-4-ethylbenzamide
CID 84532761
N-(2-acetamidoethyl)-4-methylbenzamide
CID 4186573
N-(3-amino-3-sulfanylidenepropyl)-4-ethylbenzamide
CID 62668181
N-[3-[heptyl(octyl)amino]propyl]-4-[4-[3-[heptyl(octyl)amino]propylcarbamoyl]phenyl]benzamide
CID 139954884

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-acetamidobutanoyl(hydroxy)amino]ethyl]-4-(4-ethylphenyl)benzamide?
The IUPAC name of N-[2-[4-acetamidobutanoyl(hydroxy)amino]ethyl]-4-(4-ethylphenyl)benzamide (CID 58343315) is N-[2-[4-acetamidobutanoyl(hydroxy)amino]ethyl]-4-(4-ethylphenyl)benzamide.
What is the SMILES notation for N-[2-[4-acetamidobutanoyl(hydroxy)amino]ethyl]-4-(4-ethylphenyl)benzamide?
The canonical SMILES for N-[2-[4-acetamidobutanoyl(hydroxy)amino]ethyl]-4-(4-ethylphenyl)benzamide is CCc1ccc(-c2ccc(C(=O)NCCN(O)C(=O)CCCNC(C)=O)cc2)cc1.
What is the InChIKey of N-[2-[4-acetamidobutanoyl(hydroxy)amino]ethyl]-4-(4-ethylphenyl)benzamide?
The InChIKey is UAGLVKOBUHMODO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O4/c1-3-18-6-8-19(9-7-18)20-10-12-21(13-11-20)23(29)25-15-16-26(30)22(28)5-4-14-24-17(2)27/h6-13,30H,3-5,14-16H2,1-2H3,(H,24,27)(H,25,29).
What are the key properties of N-[2-[4-acetamidobutanoyl(hydroxy)amino]ethyl]-4-(4-ethylphenyl)benzamide?
N-[2-[4-acetamidobutanoyl(hydroxy)amino]ethyl]-4-(4-ethylphenyl)benzamide has a molecular weight of 411.50 g/mol, XLogP of 2.78, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-acetamidobutanoyl(hydroxy)amino]ethyl]-4-(4-ethylphenyl)benzamide is sourced from PubChem (CID 58343315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).