propan-2-yl N-[3-[2-(cyclohexylamino)-2-oxoethyl]phenyl]carbamate

C18H26N2O3 — CID 54406188

IUPACpropan-2-yl N-[3-[2-(cyclohexylamino)-2-oxoethyl]phenyl]carbamate
SMILESCC(C)OC(=O)Nc1cccc(CC(=O)NC2CCCCC2)c1
InChIInChI=1S/C18H26N2O3/c1-13(2)23-18(22)20-16-10-6-7-14(11-16)12-17(21)19-15-8-4-3-5-9-15/h6-7,10-11,13,15H,3-5,8-9,12H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyVQVRWCIIKVDCNZ-UHFFFAOYSA-N
MW318.42 g/mol
LogP3.63
Rot. Bonds5

About propan-2-yl N-[3-[2-(cyclohexylamino)-2-oxoethyl]phenyl]carbamate

propan-2-yl N-[3-[2-(cyclohexylamino)-2-oxoethyl]phenyl]carbamate (PubChem CID 54406188) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is propan-2-yl N-[3-[2-(cyclohexylamino)-2-oxoethyl]phenyl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[3-[2-(cyclohexylamino)-2-oxoethyl]phenyl]carbamate
PubChem CID54406188
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Namepropan-2-yl N-[3-[2-(cyclohexylamino)-2-oxoethyl]phenyl]carbamate
SMILESCC(C)OC(=O)Nc1cccc(CC(=O)NC2CCCCC2)c1
InChIInChI=1S/C18H26N2O3/c1-13(2)23-18(22)20-16-10-6-7-14(11-16)12-17(21)19-15-8-4-3-5-9-15/h6-7,10-11,13,15H,3-5,8-9,12H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyVQVRWCIIKVDCNZ-UHFFFAOYSA-N
XLogP3.63
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[3-[2-(cyclohexylamino)-2-oxoethyl]phenyl]carbamate?
The IUPAC name of propan-2-yl N-[3-[2-(cyclohexylamino)-2-oxoethyl]phenyl]carbamate (CID 54406188) is propan-2-yl N-[3-[2-(cyclohexylamino)-2-oxoethyl]phenyl]carbamate.
What is the SMILES notation for propan-2-yl N-[3-[2-(cyclohexylamino)-2-oxoethyl]phenyl]carbamate?
The canonical SMILES for propan-2-yl N-[3-[2-(cyclohexylamino)-2-oxoethyl]phenyl]carbamate is CC(C)OC(=O)Nc1cccc(CC(=O)NC2CCCCC2)c1.
What is the InChIKey of propan-2-yl N-[3-[2-(cyclohexylamino)-2-oxoethyl]phenyl]carbamate?
The InChIKey is VQVRWCIIKVDCNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-13(2)23-18(22)20-16-10-6-7-14(11-16)12-17(21)19-15-8-4-3-5-9-15/h6-7,10-11,13,15H,3-5,8-9,12H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of propan-2-yl N-[3-[2-(cyclohexylamino)-2-oxoethyl]phenyl]carbamate?
propan-2-yl N-[3-[2-(cyclohexylamino)-2-oxoethyl]phenyl]carbamate has a molecular weight of 318.42 g/mol, XLogP of 3.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[3-[2-(cyclohexylamino)-2-oxoethyl]phenyl]carbamate is sourced from PubChem (CID 54406188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).