ethyl N-[(Z)-[(2S)-2-phenyl-2,3-dihydrochromen-4-ylidene]amino]carbamate

C18H18N2O3 — CID 8972691

IUPACethyl N-[(Z)-[(2S)-2-phenyl-2,3-dihydrochromen-4-ylidene]amino]carbamate
SMILESCCOC(=O)N/N=C1/C[C@@H](c2ccccc2)Oc2ccccc21
InChIInChI=1S/C18H18N2O3/c1-2-22-18(21)20-19-15-12-17(13-8-4-3-5-9-13)23-16-11-7-6-10-14(15)16/h3-11,17H,2,12H2,1H3,(H,20,21)/b19-15-/t17-/m0/s1
InChIKeyFIXPPPDUJYMWFF-STZPCZCHSA-N
MW310.35 g/mol
LogP3.66
Rot. Bonds3

About ethyl N-[(Z)-[(2S)-2-phenyl-2,3-dihydrochromen-4-ylidene]amino]carbamate

ethyl N-[(Z)-[(2S)-2-phenyl-2,3-dihydrochromen-4-ylidene]amino]carbamate (PubChem CID 8972691) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is ethyl N-[(Z)-[(2S)-2-phenyl-2,3-dihydrochromen-4-ylidene]amino]carbamate.

Molecular Properties

Compound Nameethyl N-[(Z)-[(2S)-2-phenyl-2,3-dihydrochromen-4-ylidene]amino]carbamate
PubChem CID8972691
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Nameethyl N-[(Z)-[(2S)-2-phenyl-2,3-dihydrochromen-4-ylidene]amino]carbamate
SMILESCCOC(=O)N/N=C1/C[C@@H](c2ccccc2)Oc2ccccc21
InChIInChI=1S/C18H18N2O3/c1-2-22-18(21)20-19-15-12-17(13-8-4-3-5-9-13)23-16-11-7-6-10-14(15)16/h3-11,17H,2,12H2,1H3,(H,20,21)/b19-15-/t17-/m0/s1
InChIKeyFIXPPPDUJYMWFF-STZPCZCHSA-N
XLogP3.66
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[(Z)-[(2S)-2-phenyl-2,3-dihydrochromen-4-ylidene]amino]carbamate?
The IUPAC name of ethyl N-[(Z)-[(2S)-2-phenyl-2,3-dihydrochromen-4-ylidene]amino]carbamate (CID 8972691) is ethyl N-[(Z)-[(2S)-2-phenyl-2,3-dihydrochromen-4-ylidene]amino]carbamate.
What is the SMILES notation for ethyl N-[(Z)-[(2S)-2-phenyl-2,3-dihydrochromen-4-ylidene]amino]carbamate?
The canonical SMILES for ethyl N-[(Z)-[(2S)-2-phenyl-2,3-dihydrochromen-4-ylidene]amino]carbamate is CCOC(=O)N/N=C1/C[C@@H](c2ccccc2)Oc2ccccc21.
What is the InChIKey of ethyl N-[(Z)-[(2S)-2-phenyl-2,3-dihydrochromen-4-ylidene]amino]carbamate?
The InChIKey is FIXPPPDUJYMWFF-STZPCZCHSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-2-22-18(21)20-19-15-12-17(13-8-4-3-5-9-13)23-16-11-7-6-10-14(15)16/h3-11,17H,2,12H2,1H3,(H,20,21)/b19-15-/t17-/m0/s1.
What are the key properties of ethyl N-[(Z)-[(2S)-2-phenyl-2,3-dihydrochromen-4-ylidene]amino]carbamate?
ethyl N-[(Z)-[(2S)-2-phenyl-2,3-dihydrochromen-4-ylidene]amino]carbamate has a molecular weight of 310.35 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(Z)-[(2S)-2-phenyl-2,3-dihydrochromen-4-ylidene]amino]carbamate is sourced from PubChem (CID 8972691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).