methyl N-[(Z)-1-phenylhexadecylideneamino]carbamate

C24H40N2O2 — CID 127261696

IUPACmethyl N-[(Z)-1-phenylhexadecylideneamino]carbamate
SMILESCCCCCCCCCCCCCCC/C(=N/NC(=O)OC)c1ccccc1
InChIInChI=1S/C24H40N2O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-18-21-23(25-26-24(27)28-2)22-19-16-15-17-20-22/h15-17,19-20H,3-14,18,21H2,1-2H3,(H,26,27)/b25-23-
InChIKeyQTRWZVQQCJPXGW-BZZOAKBMSA-N
MW388.60 g/mol
LogP7.23
Rot. Bonds16

About methyl N-[(Z)-1-phenylhexadecylideneamino]carbamate

methyl N-[(Z)-1-phenylhexadecylideneamino]carbamate (PubChem CID 127261696) has the molecular formula C24H40N2O2 and a molecular weight of 388.60 g/mol. Its IUPAC name is methyl N-[(Z)-1-phenylhexadecylideneamino]carbamate.

Molecular Properties

Compound Namemethyl N-[(Z)-1-phenylhexadecylideneamino]carbamate
PubChem CID127261696
Molecular FormulaC24H40N2O2
Molecular Weight388.60 g/mol
Exact Mass388.31
IUPAC Namemethyl N-[(Z)-1-phenylhexadecylideneamino]carbamate
SMILESCCCCCCCCCCCCCCC/C(=N/NC(=O)OC)c1ccccc1
InChIInChI=1S/C24H40N2O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-18-21-23(25-26-24(27)28-2)22-19-16-15-17-20-22/h15-17,19-20H,3-14,18,21H2,1-2H3,(H,26,27)/b25-23-
InChIKeyQTRWZVQQCJPXGW-BZZOAKBMSA-N
XLogP7.23
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.60
LogP ≤ 57.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(1-phenylpentylideneamino)octanamide
CID 4676930
4-methoxy-N-[(E)-1-phenylhexylideneamino]benzamide
CID 6370113
N-(1-phenylhexylideneamino)pyridine-4-carboxamide
CID 2838403
4-hexoxy-N-(1-phenylpentylideneamino)benzamide
CID 4930589
N-methoxy-1-phenylhexan-1-imine
CID 141496906
N-[(E)-1-phenylhexylideneamino]pyridine-3-carboxamide
CID 5337549
2-methoxy-N-(1-phenylpentylideneamino)benzamide
CID 4692149
(NE)-N-(1-phenyltetradecylidene)hydroxylamine
CID 6283340
(NE)-N-(1-phenyldodecylidene)hydroxylamine
CID 6013511
(NZ)-N-(1-phenyloctylidene)hydroxylamine
CID 5372164
2,5-dihydroxy-N-[(E)-1-phenylheptylideneamino]benzamide
CID 17337787
N-(4-methylphenyl)-N'-[(Z)-1-phenylhexylideneamino]oxamide
CID 9180166

Frequently Asked Questions

What is the IUPAC name of methyl N-[(Z)-1-phenylhexadecylideneamino]carbamate?
The IUPAC name of methyl N-[(Z)-1-phenylhexadecylideneamino]carbamate (CID 127261696) is methyl N-[(Z)-1-phenylhexadecylideneamino]carbamate.
What is the SMILES notation for methyl N-[(Z)-1-phenylhexadecylideneamino]carbamate?
The canonical SMILES for methyl N-[(Z)-1-phenylhexadecylideneamino]carbamate is CCCCCCCCCCCCCCC/C(=N/NC(=O)OC)c1ccccc1.
What is the InChIKey of methyl N-[(Z)-1-phenylhexadecylideneamino]carbamate?
The InChIKey is QTRWZVQQCJPXGW-BZZOAKBMSA-N. The full InChI is InChI=1S/C24H40N2O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-18-21-23(25-26-24(27)28-2)22-19-16-15-17-20-22/h15-17,19-20H,3-14,18,21H2,1-2H3,(H,26,27)/b25-23-.
What are the key properties of methyl N-[(Z)-1-phenylhexadecylideneamino]carbamate?
methyl N-[(Z)-1-phenylhexadecylideneamino]carbamate has a molecular weight of 388.60 g/mol, XLogP of 7.23, 16 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(Z)-1-phenylhexadecylideneamino]carbamate is sourced from PubChem (CID 127261696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).