ethane;propan-2-yl (NZ)-N-(1-phenylpropylidene)carbamate

C15H23NO2 — CID 142227813

IUPACethane;propan-2-yl (NZ)-N-(1-phenylpropylidene)carbamate
SMILESCC.CC/C(=N/C(=O)OC(C)C)c1ccccc1
InChIInChI=1S/C13H17NO2.C2H6/c1-4-12(11-8-6-5-7-9-11)14-13(15)16-10(2)3;1-2/h5-10H,4H2,1-3H3;1-2H3/b14-12-;
InChIKeyBHFVQVFPRNDKIP-CTMPBGLUSA-N
MW249.35 g/mol
LogP4.46
Rot. Bonds3

About ethane;propan-2-yl (NZ)-N-(1-phenylpropylidene)carbamate

ethane;propan-2-yl (NZ)-N-(1-phenylpropylidene)carbamate (PubChem CID 142227813) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is ethane;propan-2-yl (NZ)-N-(1-phenylpropylidene)carbamate.

Molecular Properties

Compound Nameethane;propan-2-yl (NZ)-N-(1-phenylpropylidene)carbamate
PubChem CID142227813
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Nameethane;propan-2-yl (NZ)-N-(1-phenylpropylidene)carbamate
SMILESCC.CC/C(=N/C(=O)OC(C)C)c1ccccc1
InChIInChI=1S/C13H17NO2.C2H6/c1-4-12(11-8-6-5-7-9-11)14-13(15)16-10(2)3;1-2/h5-10H,4H2,1-3H3;1-2H3/b14-12-;
InChIKeyBHFVQVFPRNDKIP-CTMPBGLUSA-N
XLogP4.46
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethane;propan-2-yl (NZ)-N-(1-phenylpropylidene)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

propan-2-yl N-(1-pyridin-2-ylpropylidene)carbamate
CID 173495171
1-(1-phenylpropylideneamino)ethanol
CID 174080576
ethane-1,2-diol;ethoxyethane;propan-2-yl benzoate
CID 67501931
benzene;propan-2-yl N-propan-2-yloxycarbonyliminocarbamate
CID 174619153
propan-2-yl (E)-2-cyano-3-phenylpent-2-enoate
CID 95004841
ethane;propan-2-yl 2-phenylpentanoate
CID 145424000
ethyl [(E)-1-phenylpropylideneamino] carbonate
CID 134874580
propan-2-yl (2R)-2-phenylbutanoate
CID 15006686
1-O-ethyl 5-O-propan-2-yl 2-(benzhydrylideneamino)-3-phenylpentanedioate
CID 11465269
propan-2-yl 4-phenyldiazenylbenzoate
CID 89049072
propan-2-yl 2-benzoylsulfanylpropanoate
CID 71435819
propan-2-yl 4-benzoyloxybenzoate
CID 17160844

Frequently Asked Questions

What is the IUPAC name of ethane;propan-2-yl (NZ)-N-(1-phenylpropylidene)carbamate?
The IUPAC name of ethane;propan-2-yl (NZ)-N-(1-phenylpropylidene)carbamate (CID 142227813) is ethane;propan-2-yl (NZ)-N-(1-phenylpropylidene)carbamate.
What is the SMILES notation for ethane;propan-2-yl (NZ)-N-(1-phenylpropylidene)carbamate?
The canonical SMILES for ethane;propan-2-yl (NZ)-N-(1-phenylpropylidene)carbamate is CC.CC/C(=N/C(=O)OC(C)C)c1ccccc1.
What is the InChIKey of ethane;propan-2-yl (NZ)-N-(1-phenylpropylidene)carbamate?
The InChIKey is BHFVQVFPRNDKIP-CTMPBGLUSA-N. The full InChI is InChI=1S/C13H17NO2.C2H6/c1-4-12(11-8-6-5-7-9-11)14-13(15)16-10(2)3;1-2/h5-10H,4H2,1-3H3;1-2H3/b14-12-;.
What are the key properties of ethane;propan-2-yl (NZ)-N-(1-phenylpropylidene)carbamate?
ethane;propan-2-yl (NZ)-N-(1-phenylpropylidene)carbamate has a molecular weight of 249.35 g/mol, XLogP of 4.46, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;propan-2-yl (NZ)-N-(1-phenylpropylidene)carbamate is sourced from PubChem (CID 142227813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).