nonyl 1-(hexoxycarbonylamino)cyclopentane-1-carboxylate

C22H41NO4 — CID 91734591

IUPACnonyl 1-(hexoxycarbonylamino)cyclopentane-1-carboxylate
SMILESCCCCCCCCCOC(=O)C1(NC(=O)OCCCCCC)CCCC1
InChIInChI=1S/C22H41NO4/c1-3-5-7-9-10-11-15-18-26-20(24)22(16-12-13-17-22)23-21(25)27-19-14-8-6-4-2/h3-19H2,1-2H3,(H,23,25)
InChIKeyIXVCTPGJZQTWPU-UHFFFAOYSA-N
MW383.57 g/mol
LogP5.90
Rot. Bonds15

About nonyl 1-(hexoxycarbonylamino)cyclopentane-1-carboxylate

nonyl 1-(hexoxycarbonylamino)cyclopentane-1-carboxylate (PubChem CID 91734591) has the molecular formula C22H41NO4 and a molecular weight of 383.57 g/mol. Its IUPAC name is nonyl 1-(hexoxycarbonylamino)cyclopentane-1-carboxylate.

Molecular Properties

Compound Namenonyl 1-(hexoxycarbonylamino)cyclopentane-1-carboxylate
PubChem CID91734591
Molecular FormulaC22H41NO4
Molecular Weight383.57 g/mol
Exact Mass383.30
IUPAC Namenonyl 1-(hexoxycarbonylamino)cyclopentane-1-carboxylate
SMILESCCCCCCCCCOC(=O)C1(NC(=O)OCCCCCC)CCCC1
InChIInChI=1S/C22H41NO4/c1-3-5-7-9-10-11-15-18-26-20(24)22(16-12-13-17-22)23-21(25)27-19-14-8-6-4-2/h3-19H2,1-2H3,(H,23,25)
InChIKeyIXVCTPGJZQTWPU-UHFFFAOYSA-N
XLogP5.90
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.57
LogP ≤ 55.90
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

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
dodecyl 1-(2-methylpropoxycarbonylamino)cyclopentane-1-carboxylate
CID 91728465
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 nonyl 1-(hexoxycarbonylamino)cyclopentane-1-carboxylate?
The IUPAC name of nonyl 1-(hexoxycarbonylamino)cyclopentane-1-carboxylate (CID 91734591) is nonyl 1-(hexoxycarbonylamino)cyclopentane-1-carboxylate.
What is the SMILES notation for nonyl 1-(hexoxycarbonylamino)cyclopentane-1-carboxylate?
The canonical SMILES for nonyl 1-(hexoxycarbonylamino)cyclopentane-1-carboxylate is CCCCCCCCCOC(=O)C1(NC(=O)OCCCCCC)CCCC1.
What is the InChIKey of nonyl 1-(hexoxycarbonylamino)cyclopentane-1-carboxylate?
The InChIKey is IXVCTPGJZQTWPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H41NO4/c1-3-5-7-9-10-11-15-18-26-20(24)22(16-12-13-17-22)23-21(25)27-19-14-8-6-4-2/h3-19H2,1-2H3,(H,23,25).
What are the key properties of nonyl 1-(hexoxycarbonylamino)cyclopentane-1-carboxylate?
nonyl 1-(hexoxycarbonylamino)cyclopentane-1-carboxylate has a molecular weight of 383.57 g/mol, XLogP of 5.90, 15 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for nonyl 1-(hexoxycarbonylamino)cyclopentane-1-carboxylate is sourced from PubChem (CID 91734591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).