N'-[2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetyl]benzohydrazide

C15H17N3O3 — CID 8919664

IUPACN'-[2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetyl]benzohydrazide
SMILESC[C@H](NCC(=O)NNC(=O)c1ccccc1)c1ccco1
InChIInChI=1S/C15H17N3O3/c1-11(13-8-5-9-21-13)16-10-14(19)17-18-15(20)12-6-3-2-4-7-12/h2-9,11,16H,10H2,1H3,(H,17,19)(H,18,20)/t11-/m0/s1
InChIKeyKPYANCLBWWAYNH-NSHDSACASA-N
MW287.32 g/mol
LogP1.39
Rot. Bonds5

About N'-[2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetyl]benzohydrazide

N'-[2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetyl]benzohydrazide (PubChem CID 8919664) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is N'-[2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetyl]benzohydrazide.

Molecular Properties

Compound NameN'-[2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetyl]benzohydrazide
PubChem CID8919664
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC NameN'-[2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetyl]benzohydrazide
SMILESC[C@H](NCC(=O)NNC(=O)c1ccccc1)c1ccco1
InChIInChI=1S/C15H17N3O3/c1-11(13-8-5-9-21-13)16-10-14(19)17-18-15(20)12-6-3-2-4-7-12/h2-9,11,16H,10H2,1H3,(H,17,19)(H,18,20)/t11-/m0/s1
InChIKeyKPYANCLBWWAYNH-NSHDSACASA-N
XLogP1.39
TPSA83.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetamide
CID 8917782
[2-(2-benzoylhydrazinyl)-2-oxoethyl]-[(1S)-1-(furan-2-yl)ethyl]azanium
CID 8919663
N-carbamoyl-2-[1-(furan-2-yl)ethylamino]acetamide
CID 43401074
N-(cyanomethyl)-2-[[(1R)-1-(furan-2-yl)ethyl]amino]acetamide
CID 81400149
2-[[(1R)-1-(furan-2-yl)ethyl]amino]-N-[(1S)-1-naphthalen-1-ylethyl]acetamide
CID 8922326
2-[[(1S)-1-(furan-2-yl)ethyl]amino]-N-naphthalen-1-ylacetamide
CID 8918107
2-[[(1S)-1-(furan-2-yl)ethyl]amino]-N,N-dimethylacetamide
CID 81399983
N-(4-fluorophenyl)-2-[[2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetyl]amino]benzamide
CID 8922799
2-[[(1S)-1-(furan-2-yl)ethyl]amino]-N-[(R)-(4-methoxyphenyl)-phenylmethyl]acetamide
CID 8921188
N-(4-chlorophenyl)-2-[[2-[[(1R)-1-(furan-2-yl)ethyl]amino]acetyl]amino]benzamide
CID 8922758
N,N-diethyl-2-[1-(furan-2-yl)ethylamino]acetamide
CID 43401823
2-[[(1S)-1-(furan-2-yl)ethyl]amino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 8917972

Frequently Asked Questions

What is the IUPAC name of N'-[2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetyl]benzohydrazide?
The IUPAC name of N'-[2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetyl]benzohydrazide (CID 8919664) is N'-[2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetyl]benzohydrazide.
What is the SMILES notation for N'-[2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetyl]benzohydrazide?
The canonical SMILES for N'-[2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetyl]benzohydrazide is C[C@H](NCC(=O)NNC(=O)c1ccccc1)c1ccco1.
What is the InChIKey of N'-[2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetyl]benzohydrazide?
The InChIKey is KPYANCLBWWAYNH-NSHDSACASA-N. The full InChI is InChI=1S/C15H17N3O3/c1-11(13-8-5-9-21-13)16-10-14(19)17-18-15(20)12-6-3-2-4-7-12/h2-9,11,16H,10H2,1H3,(H,17,19)(H,18,20)/t11-/m0/s1.
What are the key properties of N'-[2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetyl]benzohydrazide?
N'-[2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetyl]benzohydrazide has a molecular weight of 287.32 g/mol, XLogP of 1.39, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetyl]benzohydrazide is sourced from PubChem (CID 8919664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).