benzyl N-[3-[2-[2-(furan-2-ylmethylamino)-2-oxoacetyl]hydrazinyl]-3-oxopropyl]carbamate

C18H20N4O6 — CID 167827253

IUPACbenzyl N-[3-[2-[2-(furan-2-ylmethylamino)-2-oxoacetyl]hydrazinyl]-3-oxopropyl]carbamate
SMILESO=C(CCNC(=O)OCc1ccccc1)NNC(=O)C(=O)NCc1ccco1
InChIInChI=1S/C18H20N4O6/c23-15(8-9-19-18(26)28-12-13-5-2-1-3-6-13)21-22-17(25)16(24)20-11-14-7-4-10-27-14/h1-7,10H,8-9,11-12H2,(H,19,26)(H,20,24)(H,21,23)(H,22,25)
InChIKeyPMBWVEVOZFZGMF-UHFFFAOYSA-N
MW388.38 g/mol
LogP0.36
Rot. Bonds7

About benzyl N-[3-[2-[2-(furan-2-ylmethylamino)-2-oxoacetyl]hydrazinyl]-3-oxopropyl]carbamate

benzyl N-[3-[2-[2-(furan-2-ylmethylamino)-2-oxoacetyl]hydrazinyl]-3-oxopropyl]carbamate (PubChem CID 167827253) has the molecular formula C18H20N4O6 and a molecular weight of 388.38 g/mol. Its IUPAC name is benzyl N-[3-[2-[2-(furan-2-ylmethylamino)-2-oxoacetyl]hydrazinyl]-3-oxopropyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[3-[2-[2-(furan-2-ylmethylamino)-2-oxoacetyl]hydrazinyl]-3-oxopropyl]carbamate
PubChem CID167827253
Molecular FormulaC18H20N4O6
Molecular Weight388.38 g/mol
Exact Mass388.14
IUPAC Namebenzyl N-[3-[2-[2-(furan-2-ylmethylamino)-2-oxoacetyl]hydrazinyl]-3-oxopropyl]carbamate
SMILESO=C(CCNC(=O)OCc1ccccc1)NNC(=O)C(=O)NCc1ccco1
InChIInChI=1S/C18H20N4O6/c23-15(8-9-19-18(26)28-12-13-5-2-1-3-6-13)21-22-17(25)16(24)20-11-14-7-4-10-27-14/h1-7,10H,8-9,11-12H2,(H,19,26)(H,20,24)(H,21,23)(H,22,25)
InChIKeyPMBWVEVOZFZGMF-UHFFFAOYSA-N
XLogP0.36
TPSA138.77 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.38
LogP ≤ 50.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

benzyl N-(furan-2-ylmethyl)carbamate
CID 10220238
S-[2-[3-(phenylmethoxycarbonylamino)propanoylamino]ethyl] ethanethioate
CID 13336145
benzyl N-[3-oxo-3-(4-phenylanilino)propyl]carbamate
CID 126005165
benzyl N-[7-(phenylmethoxycarbonylamino)heptyl]carbamate
CID 562919
benzyl N-[18-(phenylmethoxycarbonylamino)octadecyl]carbamate
CID 67828631
benzyl 2-(furan-2-yl)acetate
CID 11447250
benzyl N-[3-(4-bromoanilino)-3-oxopropyl]carbamate
CID 165430807
benzyl N-[2-(butanoylamino)ethyl]carbamate
CID 130774623
ethyl 3-oxo-5-(phenylmethoxycarbonylamino)pentanoate
CID 15195445
benzyl N-[3-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-3-oxopropyl]carbamate
CID 4075951
benzyl N-(phenylmethoxycarbonylaminomethyl)carbamate
CID 13001569
benzyl N-[2-(methylamino)ethyl]carbamate
CID 10822258

Frequently Asked Questions

What is the IUPAC name of benzyl N-[3-[2-[2-(furan-2-ylmethylamino)-2-oxoacetyl]hydrazinyl]-3-oxopropyl]carbamate?
The IUPAC name of benzyl N-[3-[2-[2-(furan-2-ylmethylamino)-2-oxoacetyl]hydrazinyl]-3-oxopropyl]carbamate (CID 167827253) is benzyl N-[3-[2-[2-(furan-2-ylmethylamino)-2-oxoacetyl]hydrazinyl]-3-oxopropyl]carbamate.
What is the SMILES notation for benzyl N-[3-[2-[2-(furan-2-ylmethylamino)-2-oxoacetyl]hydrazinyl]-3-oxopropyl]carbamate?
The canonical SMILES for benzyl N-[3-[2-[2-(furan-2-ylmethylamino)-2-oxoacetyl]hydrazinyl]-3-oxopropyl]carbamate is O=C(CCNC(=O)OCc1ccccc1)NNC(=O)C(=O)NCc1ccco1.
What is the InChIKey of benzyl N-[3-[2-[2-(furan-2-ylmethylamino)-2-oxoacetyl]hydrazinyl]-3-oxopropyl]carbamate?
The InChIKey is PMBWVEVOZFZGMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O6/c23-15(8-9-19-18(26)28-12-13-5-2-1-3-6-13)21-22-17(25)16(24)20-11-14-7-4-10-27-14/h1-7,10H,8-9,11-12H2,(H,19,26)(H,20,24)(H,21,23)(H,22,25).
What are the key properties of benzyl N-[3-[2-[2-(furan-2-ylmethylamino)-2-oxoacetyl]hydrazinyl]-3-oxopropyl]carbamate?
benzyl N-[3-[2-[2-(furan-2-ylmethylamino)-2-oxoacetyl]hydrazinyl]-3-oxopropyl]carbamate has a molecular weight of 388.38 g/mol, XLogP of 0.36, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[3-[2-[2-(furan-2-ylmethylamino)-2-oxoacetyl]hydrazinyl]-3-oxopropyl]carbamate is sourced from PubChem (CID 167827253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).