2-[2-(3-formamidophenyl)ethylamino]-2-phenylacetic acid;N-hydroxyoctanamide

C25H35N3O5 — CID 143322307

IUPAC2-[2-(3-formamidophenyl)ethylamino]-2-phenylacetic acid;N-hydroxyoctanamide
SMILESCCCCCCCC(=O)NO.O=CNc1cccc(CCNC(C(=O)O)c2ccccc2)c1
InChIInChI=1S/C17H18N2O3.C8H17NO2/c20-12-19-15-8-4-5-13(11-15)9-10-18-16(17(21)22)14-6-2-1-3-7-14;1-2-3-4-5-6-7-8(10)9-11/h1-8,11-12,16,18H,9-10H2,(H,19,20)(H,21,22);11H,2-7H2,1H3,(H,9,10)
InChIKeyVTMGUKSVAKQKJW-UHFFFAOYSA-N
MW457.57 g/mol
LogP4.07
Rot. Bonds14

About 2-[2-(3-formamidophenyl)ethylamino]-2-phenylacetic acid;N-hydroxyoctanamide

2-[2-(3-formamidophenyl)ethylamino]-2-phenylacetic acid;N-hydroxyoctanamide (PubChem CID 143322307) has the molecular formula C25H35N3O5 and a molecular weight of 457.57 g/mol. Its IUPAC name is 2-[2-(3-formamidophenyl)ethylamino]-2-phenylacetic acid;N-hydroxyoctanamide.

Molecular Properties

Compound Name2-[2-(3-formamidophenyl)ethylamino]-2-phenylacetic acid;N-hydroxyoctanamide
PubChem CID143322307
Molecular FormulaC25H35N3O5
Molecular Weight457.57 g/mol
Exact Mass457.26
IUPAC Name2-[2-(3-formamidophenyl)ethylamino]-2-phenylacetic acid;N-hydroxyoctanamide
SMILESCCCCCCCC(=O)NO.O=CNc1cccc(CCNC(C(=O)O)c2ccccc2)c1
InChIInChI=1S/C17H18N2O3.C8H17NO2/c20-12-19-15-8-4-5-13(11-15)9-10-18-16(17(21)22)14-6-2-1-3-7-14;1-2-3-4-5-6-7-8(10)9-11/h1-8,11-12,16,18H,9-10H2,(H,19,20)(H,21,22);11H,2-7H2,1H3,(H,9,10)
InChIKeyVTMGUKSVAKQKJW-UHFFFAOYSA-N
XLogP4.07
TPSA127.76 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.57
LogP ≤ 54.07
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[2-(3-formamidophenyl)ethylamino]-2-phenylacetic acid;N-hydroxyoctanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-(pentylamino)-2-phenylacetic acid
CID 94357515
(2S)-2-(hexanoylamino)-2-phenylacetic acid
CID 28880777
2-[[4-[[8-(hydroxyamino)-8-oxooctanoyl]amino]phenyl]methylamino]-2-phenylacetic acid
CID 73201416
(2R)-2-[[(2R)-2-(octadecanoylamino)-3-phenylpropanoyl]amino]-2-phenylacetic acid
CID 132934284
(2S)-2-phenyl-2-[(3-propylphenyl)methylamino]acetic acid
CID 120511809
(2R)-2-phenyl-2-[(3-propylphenyl)methylamino]acetic acid
CID 120510352
2-(3-fluorophenyl)-2-(2-phenylethylamino)acetic acid
CID 84746879
N-(3-ethylphenyl)decanamide
CID 4053743
2-[5-[[carboxy(phenyl)methyl]amino]pentylamino]-2-phenylacetic acid;hydrobromide
CID 54603034
2-[7-[[carboxy(phenyl)methyl]amino]heptylamino]-2-phenylacetic acid;hydrobromide
CID 54599011
2-(heptanoylamino)-4-phenylbutanoic acid
CID 114916720
formamide;N-phenylheptanamide
CID 143464966

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-formamidophenyl)ethylamino]-2-phenylacetic acid;N-hydroxyoctanamide?
The IUPAC name of 2-[2-(3-formamidophenyl)ethylamino]-2-phenylacetic acid;N-hydroxyoctanamide (CID 143322307) is 2-[2-(3-formamidophenyl)ethylamino]-2-phenylacetic acid;N-hydroxyoctanamide.
What is the SMILES notation for 2-[2-(3-formamidophenyl)ethylamino]-2-phenylacetic acid;N-hydroxyoctanamide?
The canonical SMILES for 2-[2-(3-formamidophenyl)ethylamino]-2-phenylacetic acid;N-hydroxyoctanamide is CCCCCCCC(=O)NO.O=CNc1cccc(CCNC(C(=O)O)c2ccccc2)c1.
What is the InChIKey of 2-[2-(3-formamidophenyl)ethylamino]-2-phenylacetic acid;N-hydroxyoctanamide?
The InChIKey is VTMGUKSVAKQKJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3.C8H17NO2/c20-12-19-15-8-4-5-13(11-15)9-10-18-16(17(21)22)14-6-2-1-3-7-14;1-2-3-4-5-6-7-8(10)9-11/h1-8,11-12,16,18H,9-10H2,(H,19,20)(H,21,22);11H,2-7H2,1H3,(H,9,10).
What are the key properties of 2-[2-(3-formamidophenyl)ethylamino]-2-phenylacetic acid;N-hydroxyoctanamide?
2-[2-(3-formamidophenyl)ethylamino]-2-phenylacetic acid;N-hydroxyoctanamide has a molecular weight of 457.57 g/mol, XLogP of 4.07, 14 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-formamidophenyl)ethylamino]-2-phenylacetic acid;N-hydroxyoctanamide is sourced from PubChem (CID 143322307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).