methyl N-ethyl-N-[4-(propylamino)phenyl]carbamate

C13H20N2O2 — CID 151199082

IUPACmethyl N-ethyl-N-[4-(propylamino)phenyl]carbamate
SMILESCCCNc1ccc(N(CC)C(=O)OC)cc1
InChIInChI=1S/C13H20N2O2/c1-4-10-14-11-6-8-12(9-7-11)15(5-2)13(16)17-3/h6-9,14H,4-5,10H2,1-3H3
InChIKeyNHYBSYVAFNYCDV-UHFFFAOYSA-N
MW236.32 g/mol
LogP3.10
Rot. Bonds5

About methyl N-ethyl-N-[4-(propylamino)phenyl]carbamate

methyl N-ethyl-N-[4-(propylamino)phenyl]carbamate (PubChem CID 151199082) has the molecular formula C13H20N2O2 and a molecular weight of 236.32 g/mol. Its IUPAC name is methyl N-ethyl-N-[4-(propylamino)phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-ethyl-N-[4-(propylamino)phenyl]carbamate
PubChem CID151199082
Molecular FormulaC13H20N2O2
Molecular Weight236.32 g/mol
Exact Mass236.15
IUPAC Namemethyl N-ethyl-N-[4-(propylamino)phenyl]carbamate
SMILESCCCNc1ccc(N(CC)C(=O)OC)cc1
InChIInChI=1S/C13H20N2O2/c1-4-10-14-11-6-8-12(9-7-11)15(5-2)13(16)17-3/h6-9,14H,4-5,10H2,1-3H3
InChIKeyNHYBSYVAFNYCDV-UHFFFAOYSA-N
XLogP3.10
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl N-ethyl-N-(4-phenylphenyl)carbamate;hydrochloride
CID 173118829
[4-(propylamino)phenyl]urea
CID 43745026
1-[4-(propylamino)phenyl]ethanone
CID 7304598
[4-(propylamino)phenyl] acetate
CID 82532444
methyl N-(2-amino-4-pyridinyl)-N-ethylcarbamate
CID 145083891
methyl N-ethyl-N-(3-hydroxyphenyl)carbamate
CID 107734186
[4-(propylamino)phenyl]methanol
CID 82668177
tert-butyl N-ethyl-N-[4-(hydroxymethyl)phenyl]carbamate
CID 69212492
N-ethyl-3-(4-methylanilino)-N-phenylpropanamide
CID 109034444
[4-(propylamino)phenyl] 2,2-dimethylpropanoate
CID 82532439
3-(4-bromoanilino)-N-ethyl-N-phenylpropanamide
CID 109036445
[4-(propylamino)phenyl]phosphonic acid
CID 3029986

Frequently Asked Questions

What is the IUPAC name of methyl N-ethyl-N-[4-(propylamino)phenyl]carbamate?
The IUPAC name of methyl N-ethyl-N-[4-(propylamino)phenyl]carbamate (CID 151199082) is methyl N-ethyl-N-[4-(propylamino)phenyl]carbamate.
What is the SMILES notation for methyl N-ethyl-N-[4-(propylamino)phenyl]carbamate?
The canonical SMILES for methyl N-ethyl-N-[4-(propylamino)phenyl]carbamate is CCCNc1ccc(N(CC)C(=O)OC)cc1.
What is the InChIKey of methyl N-ethyl-N-[4-(propylamino)phenyl]carbamate?
The InChIKey is NHYBSYVAFNYCDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-4-10-14-11-6-8-12(9-7-11)15(5-2)13(16)17-3/h6-9,14H,4-5,10H2,1-3H3.
What are the key properties of methyl N-ethyl-N-[4-(propylamino)phenyl]carbamate?
methyl N-ethyl-N-[4-(propylamino)phenyl]carbamate has a molecular weight of 236.32 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-ethyl-N-[4-(propylamino)phenyl]carbamate is sourced from PubChem (CID 151199082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).