ethane;phenylmethyl N-[2-[methyl(propanoyl)amino]ethyl]carbamate;vanadium

C16H25N2O3V- — CID 171831040

IUPACethane;phenylmethyl N-[2-[methyl(propanoyl)amino]ethyl]carbamate;vanadium
SMILESCC.CCC(=O)N(C)CCNC(=O)OCc1cc[c-]cc1.[V]
InChIInChI=1S/C14H19N2O3.C2H6.V/c1-3-13(17)16(2)10-9-15-14(18)19-11-12-7-5-4-6-8-12;1-2;/h5-8H,3,9-11H2,1-2H3,(H,15,18);1-2H3;/q-1;;
InChIKeyFOMUCVMANYAPLL-UHFFFAOYSA-N
MW344.33 g/mol
LogP2.61
Rot. Bonds6

About ethane;phenylmethyl N-[2-[methyl(propanoyl)amino]ethyl]carbamate;vanadium

ethane;phenylmethyl N-[2-[methyl(propanoyl)amino]ethyl]carbamate;vanadium (PubChem CID 171831040) has the molecular formula C16H25N2O3V- and a molecular weight of 344.33 g/mol. Its IUPAC name is ethane;phenylmethyl N-[2-[methyl(propanoyl)amino]ethyl]carbamate;vanadium.

Molecular Properties

Compound Nameethane;phenylmethyl N-[2-[methyl(propanoyl)amino]ethyl]carbamate;vanadium
PubChem CID171831040
Molecular FormulaC16H25N2O3V-
Molecular Weight344.33 g/mol
Exact Mass344.13
IUPAC Nameethane;phenylmethyl N-[2-[methyl(propanoyl)amino]ethyl]carbamate;vanadium
SMILESCC.CCC(=O)N(C)CCNC(=O)OCc1cc[c-]cc1.[V]
InChIInChI=1S/C14H19N2O3.C2H6.V/c1-3-13(17)16(2)10-9-15-14(18)19-11-12-7-5-4-6-8-12;1-2;/h5-8H,3,9-11H2,1-2H3,(H,15,18);1-2H3;/q-1;;
InChIKeyFOMUCVMANYAPLL-UHFFFAOYSA-N
XLogP2.61
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.33
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;phenylmethyl N-[2-[methyl(propanoyl)amino]ethyl]carbamate;vanadium?
The IUPAC name of ethane;phenylmethyl N-[2-[methyl(propanoyl)amino]ethyl]carbamate;vanadium (CID 171831040) is ethane;phenylmethyl N-[2-[methyl(propanoyl)amino]ethyl]carbamate;vanadium.
What is the SMILES notation for ethane;phenylmethyl N-[2-[methyl(propanoyl)amino]ethyl]carbamate;vanadium?
The canonical SMILES for ethane;phenylmethyl N-[2-[methyl(propanoyl)amino]ethyl]carbamate;vanadium is CC.CCC(=O)N(C)CCNC(=O)OCc1cc[c-]cc1.[V].
What is the InChIKey of ethane;phenylmethyl N-[2-[methyl(propanoyl)amino]ethyl]carbamate;vanadium?
The InChIKey is FOMUCVMANYAPLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N2O3.C2H6.V/c1-3-13(17)16(2)10-9-15-14(18)19-11-12-7-5-4-6-8-12;1-2;/h5-8H,3,9-11H2,1-2H3,(H,15,18);1-2H3;/q-1;;.
What are the key properties of ethane;phenylmethyl N-[2-[methyl(propanoyl)amino]ethyl]carbamate;vanadium?
ethane;phenylmethyl N-[2-[methyl(propanoyl)amino]ethyl]carbamate;vanadium has a molecular weight of 344.33 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;phenylmethyl N-[2-[methyl(propanoyl)amino]ethyl]carbamate;vanadium is sourced from PubChem (CID 171831040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).