tert-butyl N-[4-(1H-pyrrole-2-carbonylamino)cyclohexyl]carbamate

C16H25N3O3 — CID 75361698

IUPACtert-butyl N-[4-(1H-pyrrole-2-carbonylamino)cyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCC(NC(=O)c2ccc[nH]2)CC1
InChIInChI=1S/C16H25N3O3/c1-16(2,3)22-15(21)19-12-8-6-11(7-9-12)18-14(20)13-5-4-10-17-13/h4-5,10-12,17H,6-9H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyDCTGKNNONDHVCA-UHFFFAOYSA-N
MW307.39 g/mol
LogP2.58
Rot. Bonds3

About tert-butyl N-[4-(1H-pyrrole-2-carbonylamino)cyclohexyl]carbamate

tert-butyl N-[4-(1H-pyrrole-2-carbonylamino)cyclohexyl]carbamate (PubChem CID 75361698) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is tert-butyl N-[4-(1H-pyrrole-2-carbonylamino)cyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(1H-pyrrole-2-carbonylamino)cyclohexyl]carbamate
PubChem CID75361698
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC Nametert-butyl N-[4-(1H-pyrrole-2-carbonylamino)cyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCC(NC(=O)c2ccc[nH]2)CC1
InChIInChI=1S/C16H25N3O3/c1-16(2,3)22-15(21)19-12-8-6-11(7-9-12)18-14(20)13-5-4-10-17-13/h4-5,10-12,17H,6-9H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyDCTGKNNONDHVCA-UHFFFAOYSA-N
XLogP2.58
TPSA83.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(1H-pyrrole-2-carbonylamino)cyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[4-(1H-pyrrole-2-carbonylamino)cyclohexyl]carbamate (CID 75361698) is tert-butyl N-[4-(1H-pyrrole-2-carbonylamino)cyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(1H-pyrrole-2-carbonylamino)cyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[4-(1H-pyrrole-2-carbonylamino)cyclohexyl]carbamate is CC(C)(C)OC(=O)NC1CCC(NC(=O)c2ccc[nH]2)CC1.
What is the InChIKey of tert-butyl N-[4-(1H-pyrrole-2-carbonylamino)cyclohexyl]carbamate?
The InChIKey is DCTGKNNONDHVCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-16(2,3)22-15(21)19-12-8-6-11(7-9-12)18-14(20)13-5-4-10-17-13/h4-5,10-12,17H,6-9H2,1-3H3,(H,18,20)(H,19,21).
What are the key properties of tert-butyl N-[4-(1H-pyrrole-2-carbonylamino)cyclohexyl]carbamate?
tert-butyl N-[4-(1H-pyrrole-2-carbonylamino)cyclohexyl]carbamate has a molecular weight of 307.39 g/mol, XLogP of 2.58, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(1H-pyrrole-2-carbonylamino)cyclohexyl]carbamate is sourced from PubChem (CID 75361698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).