phenyl N-[2-[methyl(propyl)amino]ethyl]carbamate

C13H20N2O2 — CID 59371177

IUPACphenyl N-[2-[methyl(propyl)amino]ethyl]carbamate
SMILESCCCN(C)CCNC(=O)Oc1ccccc1
InChIInChI=1S/C13H20N2O2/c1-3-10-15(2)11-9-14-13(16)17-12-7-5-4-6-8-12/h4-8H,3,9-11H2,1-2H3,(H,14,16)
InChIKeyIRBCEDMXLASNRC-UHFFFAOYSA-N
MW236.32 g/mol
LogP2.12
Rot. Bonds6

About phenyl N-[2-[methyl(propyl)amino]ethyl]carbamate

phenyl N-[2-[methyl(propyl)amino]ethyl]carbamate (PubChem CID 59371177) has the molecular formula C13H20N2O2 and a molecular weight of 236.32 g/mol. Its IUPAC name is phenyl N-[2-[methyl(propyl)amino]ethyl]carbamate.

Molecular Properties

Compound Namephenyl N-[2-[methyl(propyl)amino]ethyl]carbamate
PubChem CID59371177
Molecular FormulaC13H20N2O2
Molecular Weight236.32 g/mol
Exact Mass236.15
IUPAC Namephenyl N-[2-[methyl(propyl)amino]ethyl]carbamate
SMILESCCCN(C)CCNC(=O)Oc1ccccc1
InChIInChI=1S/C13H20N2O2/c1-3-10-15(2)11-9-14-13(16)17-12-7-5-4-6-8-12/h4-8H,3,9-11H2,1-2H3,(H,14,16)
InChIKeyIRBCEDMXLASNRC-UHFFFAOYSA-N
XLogP2.12
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

phenyl N-[2-(ethylamino)ethyl]carbamate
CID 62663322
phenyl N-(2-hydroxyethyl)carbamate
CID 10932043
phenyl N-(2-methylsulfanylethyl)carbamate
CID 60637251
phenyl N-[2-[(2-methylbenzoyl)amino]ethyl]carbamate
CID 108574783
phenyl N-(2-phenylethyl)carbamate
CID 12632743
phenyl N-(3-methoxypropyl)carbamate
CID 60636020
phenyl N-(3-amino-3-ethylpentyl)carbamate
CID 174465243
phenyl N-[1-oxo-1-(propylamino)propan-2-yl]carbamate
CID 60659612
phenyl N-(3-bromopropyl)carbamate
CID 142499000
phenyl N-(4-methoxybutyl)carbamate
CID 61073944
2-methyl-4-(phenoxycarbonylamino)butanoic acid
CID 80540498
phenyl N-(2-oxopropyl)carbamate
CID 18713777

Frequently Asked Questions

What is the IUPAC name of phenyl N-[2-[methyl(propyl)amino]ethyl]carbamate?
The IUPAC name of phenyl N-[2-[methyl(propyl)amino]ethyl]carbamate (CID 59371177) is phenyl N-[2-[methyl(propyl)amino]ethyl]carbamate.
What is the SMILES notation for phenyl N-[2-[methyl(propyl)amino]ethyl]carbamate?
The canonical SMILES for phenyl N-[2-[methyl(propyl)amino]ethyl]carbamate is CCCN(C)CCNC(=O)Oc1ccccc1.
What is the InChIKey of phenyl N-[2-[methyl(propyl)amino]ethyl]carbamate?
The InChIKey is IRBCEDMXLASNRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-3-10-15(2)11-9-14-13(16)17-12-7-5-4-6-8-12/h4-8H,3,9-11H2,1-2H3,(H,14,16).
What are the key properties of phenyl N-[2-[methyl(propyl)amino]ethyl]carbamate?
phenyl N-[2-[methyl(propyl)amino]ethyl]carbamate has a molecular weight of 236.32 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[2-[methyl(propyl)amino]ethyl]carbamate is sourced from PubChem (CID 59371177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).