phenyl N-[3-(cyclohexylamino)-3-oxopropyl]carbamate

C16H22N2O3 — CID 1131242

IUPACphenyl N-[3-(cyclohexylamino)-3-oxopropyl]carbamate
SMILESO=C(CCNC(=O)Oc1ccccc1)NC1CCCCC1
InChIInChI=1S/C16H22N2O3/c19-15(18-13-7-3-1-4-8-13)11-12-17-16(20)21-14-9-5-2-6-10-14/h2,5-6,9-10,13H,1,3-4,7-8,11-12H2,(H,17,20)(H,18,19)
InChIKeyRAACRRHOEYFYPW-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.61
Rot. Bonds5

About phenyl N-[3-(cyclohexylamino)-3-oxopropyl]carbamate

phenyl N-[3-(cyclohexylamino)-3-oxopropyl]carbamate (PubChem CID 1131242) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is phenyl N-[3-(cyclohexylamino)-3-oxopropyl]carbamate.

Molecular Properties

Compound Namephenyl N-[3-(cyclohexylamino)-3-oxopropyl]carbamate
PubChem CID1131242
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Namephenyl N-[3-(cyclohexylamino)-3-oxopropyl]carbamate
SMILESO=C(CCNC(=O)Oc1ccccc1)NC1CCCCC1
InChIInChI=1S/C16H22N2O3/c19-15(18-13-7-3-1-4-8-13)11-12-17-16(20)21-14-9-5-2-6-10-14/h2,5-6,9-10,13H,1,3-4,7-8,11-12H2,(H,17,20)(H,18,19)
InChIKeyRAACRRHOEYFYPW-UHFFFAOYSA-N
XLogP2.61
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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N-[3-(cyclohexylamino)-3-oxopropyl]-3-methoxybenzamide
CID 17226027
benzene;phenyl N-cyclopropylcarbamate
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Frequently Asked Questions

What is the IUPAC name of phenyl N-[3-(cyclohexylamino)-3-oxopropyl]carbamate?
The IUPAC name of phenyl N-[3-(cyclohexylamino)-3-oxopropyl]carbamate (CID 1131242) is phenyl N-[3-(cyclohexylamino)-3-oxopropyl]carbamate.
What is the SMILES notation for phenyl N-[3-(cyclohexylamino)-3-oxopropyl]carbamate?
The canonical SMILES for phenyl N-[3-(cyclohexylamino)-3-oxopropyl]carbamate is O=C(CCNC(=O)Oc1ccccc1)NC1CCCCC1.
What is the InChIKey of phenyl N-[3-(cyclohexylamino)-3-oxopropyl]carbamate?
The InChIKey is RAACRRHOEYFYPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c19-15(18-13-7-3-1-4-8-13)11-12-17-16(20)21-14-9-5-2-6-10-14/h2,5-6,9-10,13H,1,3-4,7-8,11-12H2,(H,17,20)(H,18,19).
What are the key properties of phenyl N-[3-(cyclohexylamino)-3-oxopropyl]carbamate?
phenyl N-[3-(cyclohexylamino)-3-oxopropyl]carbamate has a molecular weight of 290.36 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[3-(cyclohexylamino)-3-oxopropyl]carbamate is sourced from PubChem (CID 1131242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).