dodecyl 1-(2-methylpropoxycarbonylamino)cyclopentane-1-carboxylate

C23H43NO4 — CID 91728465

IUPACdodecyl 1-(2-methylpropoxycarbonylamino)cyclopentane-1-carboxylate
SMILESCCCCCCCCCCCCOC(=O)C1(NC(=O)OCC(C)C)CCCC1
InChIInChI=1S/C23H43NO4/c1-4-5-6-7-8-9-10-11-12-15-18-27-21(25)23(16-13-14-17-23)24-22(26)28-19-20(2)3/h20H,4-19H2,1-3H3,(H,24,26)
InChIKeyICKVUOIPXLGNII-UHFFFAOYSA-N
MW397.60 g/mol
LogP6.15
Rot. Bonds15

About dodecyl 1-(2-methylpropoxycarbonylamino)cyclopentane-1-carboxylate

dodecyl 1-(2-methylpropoxycarbonylamino)cyclopentane-1-carboxylate (PubChem CID 91728465) has the molecular formula C23H43NO4 and a molecular weight of 397.60 g/mol. Its IUPAC name is dodecyl 1-(2-methylpropoxycarbonylamino)cyclopentane-1-carboxylate.

Molecular Properties

Compound Namedodecyl 1-(2-methylpropoxycarbonylamino)cyclopentane-1-carboxylate
PubChem CID91728465
Molecular FormulaC23H43NO4
Molecular Weight397.60 g/mol
Exact Mass397.32
IUPAC Namedodecyl 1-(2-methylpropoxycarbonylamino)cyclopentane-1-carboxylate
SMILESCCCCCCCCCCCCOC(=O)C1(NC(=O)OCC(C)C)CCCC1
InChIInChI=1S/C23H43NO4/c1-4-5-6-7-8-9-10-11-12-15-18-27-21(25)23(16-13-14-17-23)24-22(26)28-19-20(2)3/h20H,4-19H2,1-3H3,(H,24,26)
InChIKeyICKVUOIPXLGNII-UHFFFAOYSA-N
XLogP6.15
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.60
LogP ≤ 56.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

nonyl 1-(hexoxycarbonylamino)cyclopentane-1-carboxylate
CID 91734591
heptyl 1-(hexoxycarbonylamino)cyclopentane-1-carboxylate
CID 91734431
octyl 1-(hexoxycarbonylamino)cyclopentane-1-carboxylate
CID 91734443
decyl 1-(butoxycarbonylamino)cyclopentane-1-carboxylate
CID 91728459
undecyl 1-(propoxycarbonylamino)cyclopentane-1-carboxylate
CID 91725486
pentadecyl 1-(ethoxycarbonylamino)cyclopentane-1-carboxylate
CID 91722475
nonyl 1-(ethoxycarbonylamino)cyclopentane-1-carboxylate
CID 91722454
pentadecyl 1-(2-chloroethoxycarbonylamino)cyclopentane-1-carboxylate
CID 91730534
tridecyl 1-(2,2-dimethylpropoxycarbonylamino)cyclopentane-1-carboxylate
CID 91732501
hexyl 1-(prop-2-ynoxycarbonylamino)cyclopentane-1-carboxylate
CID 91724285
tetradecyl 1-(prop-2-ynoxycarbonylamino)cyclopentane-1-carboxylate
CID 91724289
octyl 1-(but-2-ynoxycarbonylamino)cyclopentane-1-carboxylate
CID 91727342

Frequently Asked Questions

What is the IUPAC name of dodecyl 1-(2-methylpropoxycarbonylamino)cyclopentane-1-carboxylate?
The IUPAC name of dodecyl 1-(2-methylpropoxycarbonylamino)cyclopentane-1-carboxylate (CID 91728465) is dodecyl 1-(2-methylpropoxycarbonylamino)cyclopentane-1-carboxylate.
What is the SMILES notation for dodecyl 1-(2-methylpropoxycarbonylamino)cyclopentane-1-carboxylate?
The canonical SMILES for dodecyl 1-(2-methylpropoxycarbonylamino)cyclopentane-1-carboxylate is CCCCCCCCCCCCOC(=O)C1(NC(=O)OCC(C)C)CCCC1.
What is the InChIKey of dodecyl 1-(2-methylpropoxycarbonylamino)cyclopentane-1-carboxylate?
The InChIKey is ICKVUOIPXLGNII-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H43NO4/c1-4-5-6-7-8-9-10-11-12-15-18-27-21(25)23(16-13-14-17-23)24-22(26)28-19-20(2)3/h20H,4-19H2,1-3H3,(H,24,26).
What are the key properties of dodecyl 1-(2-methylpropoxycarbonylamino)cyclopentane-1-carboxylate?
dodecyl 1-(2-methylpropoxycarbonylamino)cyclopentane-1-carboxylate has a molecular weight of 397.60 g/mol, XLogP of 6.15, 15 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dodecyl 1-(2-methylpropoxycarbonylamino)cyclopentane-1-carboxylate is sourced from PubChem (CID 91728465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).