propan-2-yl N-[(4Z,7Z,10Z,13Z)-nonadeca-4,7,10,13-tetraenyl]carbamate

C23H39NO2 — CID 10570600

IUPACpropan-2-yl N-[(4Z,7Z,10Z,13Z)-nonadeca-4,7,10,13-tetraenyl]carbamate
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCNC(=O)OC(C)C
InChIInChI=1S/C23H39NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-23(25)26-22(2)3/h8-9,11-12,14-15,17-18,22H,4-7,10,13,16,19-21H2,1-3H3,(H,24,25)/b9-8-,12-11-,15-14-,18-17-
InChIKeyIZTAVISPABGUMJ-GKFVBPDJSA-N
MW361.57 g/mol
LogP6.88
Rot. Bonds15

About propan-2-yl N-[(4Z,7Z,10Z,13Z)-nonadeca-4,7,10,13-tetraenyl]carbamate

propan-2-yl N-[(4Z,7Z,10Z,13Z)-nonadeca-4,7,10,13-tetraenyl]carbamate (PubChem CID 10570600) has the molecular formula C23H39NO2 and a molecular weight of 361.57 g/mol. Its IUPAC name is propan-2-yl N-[(4Z,7Z,10Z,13Z)-nonadeca-4,7,10,13-tetraenyl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[(4Z,7Z,10Z,13Z)-nonadeca-4,7,10,13-tetraenyl]carbamate
PubChem CID10570600
Molecular FormulaC23H39NO2
Molecular Weight361.57 g/mol
Exact Mass361.30
IUPAC Namepropan-2-yl N-[(4Z,7Z,10Z,13Z)-nonadeca-4,7,10,13-tetraenyl]carbamate
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCNC(=O)OC(C)C
InChIInChI=1S/C23H39NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-23(25)26-22(2)3/h8-9,11-12,14-15,17-18,22H,4-7,10,13,16,19-21H2,1-3H3,(H,24,25)/b9-8-,12-11-,15-14-,18-17-
InChIKeyIZTAVISPABGUMJ-GKFVBPDJSA-N
XLogP6.88
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.57
LogP ≤ 56.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[(4Z,7Z,10Z,13Z)-nonadeca-4,7,10,13-tetraenyl]carbamate?
The IUPAC name of propan-2-yl N-[(4Z,7Z,10Z,13Z)-nonadeca-4,7,10,13-tetraenyl]carbamate (CID 10570600) is propan-2-yl N-[(4Z,7Z,10Z,13Z)-nonadeca-4,7,10,13-tetraenyl]carbamate.
What is the SMILES notation for propan-2-yl N-[(4Z,7Z,10Z,13Z)-nonadeca-4,7,10,13-tetraenyl]carbamate?
The canonical SMILES for propan-2-yl N-[(4Z,7Z,10Z,13Z)-nonadeca-4,7,10,13-tetraenyl]carbamate is CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCNC(=O)OC(C)C.
What is the InChIKey of propan-2-yl N-[(4Z,7Z,10Z,13Z)-nonadeca-4,7,10,13-tetraenyl]carbamate?
The InChIKey is IZTAVISPABGUMJ-GKFVBPDJSA-N. The full InChI is InChI=1S/C23H39NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-23(25)26-22(2)3/h8-9,11-12,14-15,17-18,22H,4-7,10,13,16,19-21H2,1-3H3,(H,24,25)/b9-8-,12-11-,15-14-,18-17-.
What are the key properties of propan-2-yl N-[(4Z,7Z,10Z,13Z)-nonadeca-4,7,10,13-tetraenyl]carbamate?
propan-2-yl N-[(4Z,7Z,10Z,13Z)-nonadeca-4,7,10,13-tetraenyl]carbamate has a molecular weight of 361.57 g/mol, XLogP of 6.88, 15 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[(4Z,7Z,10Z,13Z)-nonadeca-4,7,10,13-tetraenyl]carbamate is sourced from PubChem (CID 10570600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).