butyl N-(2-benzyl-3-hydrazinyl-3-oxopropyl)carbamate

C15H23N3O3 — CID 69401641

IUPACbutyl N-(2-benzyl-3-hydrazinyl-3-oxopropyl)carbamate
SMILESCCCCOC(=O)NCC(Cc1ccccc1)C(=O)NN
InChIInChI=1S/C15H23N3O3/c1-2-3-9-21-15(20)17-11-13(14(19)18-16)10-12-7-5-4-6-8-12/h4-8,13H,2-3,9-11,16H2,1H3,(H,17,20)(H,18,19)
InChIKeyCQRHPBAWFCVGPH-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.36
Rot. Bonds8

About butyl N-(2-benzyl-3-hydrazinyl-3-oxopropyl)carbamate

butyl N-(2-benzyl-3-hydrazinyl-3-oxopropyl)carbamate (PubChem CID 69401641) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is butyl N-(2-benzyl-3-hydrazinyl-3-oxopropyl)carbamate.

Molecular Properties

Compound Namebutyl N-(2-benzyl-3-hydrazinyl-3-oxopropyl)carbamate
PubChem CID69401641
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Namebutyl N-(2-benzyl-3-hydrazinyl-3-oxopropyl)carbamate
SMILESCCCCOC(=O)NCC(Cc1ccccc1)C(=O)NN
InChIInChI=1S/C15H23N3O3/c1-2-3-9-21-15(20)17-11-13(14(19)18-16)10-12-7-5-4-6-8-12/h4-8,13H,2-3,9-11,16H2,1H3,(H,17,20)(H,18,19)
InChIKeyCQRHPBAWFCVGPH-UHFFFAOYSA-N
XLogP1.36
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze butyl N-(2-benzyl-3-hydrazinyl-3-oxopropyl)carbamate 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

butyl N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]carbamate
CID 151882072
2-benzyl-3-[(2-butoxyacetyl)amino]propanoic acid
CID 119233668
pentyl N-[(2S)-2-hydroxy-2-phenylethyl]carbamate
CID 2057392
3-(butoxycarbonylamino)-4-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)amino]-4-oxobutanoic acid
CID 141381989
butyl N-(5-phenylpentyl)carbamate
CID 69404409
butyl (2S)-2-amino-3-phenylpropanoate
CID 11402655
butyl 3-phenyl-2-sulfanylpropanoate
CID 107018160
2-(butoxycarbonylamino)ethyl benzoate
CID 570837
benzyl N-[(2R)-2-(phenylmethoxycarbonylaminocarbamoyl)heptyl]carbamate
CID 67089774
(2S)-2-[[(2S)-2-(butoxycarbonylamino)-3-phenylpropanoyl]amino]-4-methylpentanoic acid
CID 54463511
butyl 3-amino-4-phenylbutanoate
CID 147090513
butyl 3-phenyl-2-(propan-2-ylamino)propanoate
CID 146262940

Frequently Asked Questions

What is the IUPAC name of butyl N-(2-benzyl-3-hydrazinyl-3-oxopropyl)carbamate?
The IUPAC name of butyl N-(2-benzyl-3-hydrazinyl-3-oxopropyl)carbamate (CID 69401641) is butyl N-(2-benzyl-3-hydrazinyl-3-oxopropyl)carbamate.
What is the SMILES notation for butyl N-(2-benzyl-3-hydrazinyl-3-oxopropyl)carbamate?
The canonical SMILES for butyl N-(2-benzyl-3-hydrazinyl-3-oxopropyl)carbamate is CCCCOC(=O)NCC(Cc1ccccc1)C(=O)NN.
What is the InChIKey of butyl N-(2-benzyl-3-hydrazinyl-3-oxopropyl)carbamate?
The InChIKey is CQRHPBAWFCVGPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-2-3-9-21-15(20)17-11-13(14(19)18-16)10-12-7-5-4-6-8-12/h4-8,13H,2-3,9-11,16H2,1H3,(H,17,20)(H,18,19).
What are the key properties of butyl N-(2-benzyl-3-hydrazinyl-3-oxopropyl)carbamate?
butyl N-(2-benzyl-3-hydrazinyl-3-oxopropyl)carbamate has a molecular weight of 293.37 g/mol, XLogP of 1.36, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl N-(2-benzyl-3-hydrazinyl-3-oxopropyl)carbamate is sourced from PubChem (CID 69401641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).