benzyl N-[(2S)-1-[2-(furan-2-carbonyl)hydrazinyl]-1-oxo-3-phenylpropan-2-yl]carbamate

C22H21N3O5 — CID 9366703

IUPACbenzyl N-[(2S)-1-[2-(furan-2-carbonyl)hydrazinyl]-1-oxo-3-phenylpropan-2-yl]carbamate
SMILESO=C(N[C@@H](Cc1ccccc1)C(=O)NNC(=O)c1ccco1)OCc1ccccc1
InChIInChI=1S/C22H21N3O5/c26-20(24-25-21(27)19-12-7-13-29-19)18(14-16-8-3-1-4-9-16)23-22(28)30-15-17-10-5-2-6-11-17/h1-13,18H,14-15H2,(H,23,28)(H,24,26)(H,25,27)/t18-/m0/s1
InChIKeyVTIFVVVUPZLLRS-SFHVURJKSA-N
MW407.43 g/mol
LogP2.58
Rot. Bonds7

About benzyl N-[(2S)-1-[2-(furan-2-carbonyl)hydrazinyl]-1-oxo-3-phenylpropan-2-yl]carbamate

benzyl N-[(2S)-1-[2-(furan-2-carbonyl)hydrazinyl]-1-oxo-3-phenylpropan-2-yl]carbamate (PubChem CID 9366703) has the molecular formula C22H21N3O5 and a molecular weight of 407.43 g/mol. Its IUPAC name is benzyl N-[(2S)-1-[2-(furan-2-carbonyl)hydrazinyl]-1-oxo-3-phenylpropan-2-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(2S)-1-[2-(furan-2-carbonyl)hydrazinyl]-1-oxo-3-phenylpropan-2-yl]carbamate
PubChem CID9366703
Molecular FormulaC22H21N3O5
Molecular Weight407.43 g/mol
Exact Mass407.15
IUPAC Namebenzyl N-[(2S)-1-[2-(furan-2-carbonyl)hydrazinyl]-1-oxo-3-phenylpropan-2-yl]carbamate
SMILESO=C(N[C@@H](Cc1ccccc1)C(=O)NNC(=O)c1ccco1)OCc1ccccc1
InChIInChI=1S/C22H21N3O5/c26-20(24-25-21(27)19-12-7-13-29-19)18(14-16-8-3-1-4-9-16)23-22(28)30-15-17-10-5-2-6-11-17/h1-13,18H,14-15H2,(H,23,28)(H,24,26)(H,25,27)/t18-/m0/s1
InChIKeyVTIFVVVUPZLLRS-SFHVURJKSA-N
XLogP2.58
TPSA109.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.43
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

benzyl N-[(2S)-1-[2-(4-ethylbenzoyl)hydrazinyl]-1-oxo-3-phenylpropan-2-yl]carbamate
CID 55942547
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benzyl 3-phenyl-2-(phenylmethoxycarbonylamino)propanoate
CID 4283517
benzyl N-[(2S)-1-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]carbamate
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benzyl N-[1-(benzylamino)-1-oxo-3-phenylpropan-2-yl]carbamate
CID 4805903
benzyl N-[(2S)-1-[[(2S)-1-(furan-2-yl)-4-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamate
CID 141457832
N-[1-[2-(2-fluorobenzoyl)hydrazinyl]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 84968457
benzyl N-[(2S)-1-oxo-1-[(1-oxo-1,3-diphenylpropan-2-yl)amino]-3-phenylpropan-2-yl]carbamate
CID 12968144
benzyl N-[(2S)-1-oxo-3-phenyl-1-[16-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]hexadecylamino]propan-2-yl]carbamate
CID 71491760
benzyl N-[1-[(4-hydroxy-3-oxo-1-phenylbutan-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]carbamate
CID 3364674
benzyl N-[(2S)-1-oxo-3-phenyl-1-[10-[[(2R)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]decylamino]propan-2-yl]carbamate
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benzyl N-[(2R)-1-oxo-3-phenyl-1-(prop-2-enylamino)propan-2-yl]carbamate
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Frequently Asked Questions

What is the IUPAC name of benzyl N-[(2S)-1-[2-(furan-2-carbonyl)hydrazinyl]-1-oxo-3-phenylpropan-2-yl]carbamate?
The IUPAC name of benzyl N-[(2S)-1-[2-(furan-2-carbonyl)hydrazinyl]-1-oxo-3-phenylpropan-2-yl]carbamate (CID 9366703) is benzyl N-[(2S)-1-[2-(furan-2-carbonyl)hydrazinyl]-1-oxo-3-phenylpropan-2-yl]carbamate.
What is the SMILES notation for benzyl N-[(2S)-1-[2-(furan-2-carbonyl)hydrazinyl]-1-oxo-3-phenylpropan-2-yl]carbamate?
The canonical SMILES for benzyl N-[(2S)-1-[2-(furan-2-carbonyl)hydrazinyl]-1-oxo-3-phenylpropan-2-yl]carbamate is O=C(N[C@@H](Cc1ccccc1)C(=O)NNC(=O)c1ccco1)OCc1ccccc1.
What is the InChIKey of benzyl N-[(2S)-1-[2-(furan-2-carbonyl)hydrazinyl]-1-oxo-3-phenylpropan-2-yl]carbamate?
The InChIKey is VTIFVVVUPZLLRS-SFHVURJKSA-N. The full InChI is InChI=1S/C22H21N3O5/c26-20(24-25-21(27)19-12-7-13-29-19)18(14-16-8-3-1-4-9-16)23-22(28)30-15-17-10-5-2-6-11-17/h1-13,18H,14-15H2,(H,23,28)(H,24,26)(H,25,27)/t18-/m0/s1.
What are the key properties of benzyl N-[(2S)-1-[2-(furan-2-carbonyl)hydrazinyl]-1-oxo-3-phenylpropan-2-yl]carbamate?
benzyl N-[(2S)-1-[2-(furan-2-carbonyl)hydrazinyl]-1-oxo-3-phenylpropan-2-yl]carbamate has a molecular weight of 407.43 g/mol, XLogP of 2.58, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(2S)-1-[2-(furan-2-carbonyl)hydrazinyl]-1-oxo-3-phenylpropan-2-yl]carbamate is sourced from PubChem (CID 9366703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).