ethyl N-[[3-(2-methylpropanoylamino)phenyl]methyl]carbamate

C14H20N2O3 — CID 60727389

IUPACethyl N-[[3-(2-methylpropanoylamino)phenyl]methyl]carbamate
SMILESCCOC(=O)NCc1cccc(NC(=O)C(C)C)c1
InChIInChI=1S/C14H20N2O3/c1-4-19-14(18)15-9-11-6-5-7-12(8-11)16-13(17)10(2)3/h5-8,10H,4,9H2,1-3H3,(H,15,18)(H,16,17)
InChIKeyJPPDWYYQEAQWAO-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.53
Rot. Bonds5

About ethyl N-[[3-(2-methylpropanoylamino)phenyl]methyl]carbamate

ethyl N-[[3-(2-methylpropanoylamino)phenyl]methyl]carbamate (PubChem CID 60727389) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is ethyl N-[[3-(2-methylpropanoylamino)phenyl]methyl]carbamate.

Molecular Properties

Compound Nameethyl N-[[3-(2-methylpropanoylamino)phenyl]methyl]carbamate
PubChem CID60727389
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Nameethyl N-[[3-(2-methylpropanoylamino)phenyl]methyl]carbamate
SMILESCCOC(=O)NCc1cccc(NC(=O)C(C)C)c1
InChIInChI=1S/C14H20N2O3/c1-4-19-14(18)15-9-11-6-5-7-12(8-11)16-13(17)10(2)3/h5-8,10H,4,9H2,1-3H3,(H,15,18)(H,16,17)
InChIKeyJPPDWYYQEAQWAO-UHFFFAOYSA-N
XLogP2.53
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-2-methyl-N-[[3-(2-methylpropanoylamino)phenyl]methyl]propanamide
CID 62728650
N-[3-(aminomethyl)phenyl]-2-methylpropanamide
CID 16773966
ethyl 4-methyl-2-[[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]carbamoyl]pentanoate
CID 169172040
N-[3-[(3-chloropropanoylamino)methyl]phenyl]-2-methylpropanamide
CID 43347121
[3-(2-methylpropanoylamino)phenyl]methyl 2-methylpropanoate
CID 58730762
ethyl 3-(2-methylpropanoylamino)benzoate
CID 836905
ethane;ethyl N-[[3-(aminomethyl)phenyl]methyl]carbamate
CID 142192151
N-[3-(benzylcarbamoylamino)phenyl]-2-methylpropanamide
CID 38884339
N-[3-[[[(2R)-2-aminopropanoyl]amino]methyl]phenyl]-2-methylbutanamide;hydrochloride
CID 119285748
2-ethyl-N-[[3-(2-ethylbutanoylamino)phenyl]methyl]butanamide
CID 52845726
methyl N-[[3-(carbamoylamino)phenyl]methyl]carbamate
CID 150640545
[3-[[3-(2-methylpropanoylamino)phenyl]methylcarbamoyl]phenyl] acetate
CID 108929186

Frequently Asked Questions

What is the IUPAC name of ethyl N-[[3-(2-methylpropanoylamino)phenyl]methyl]carbamate?
The IUPAC name of ethyl N-[[3-(2-methylpropanoylamino)phenyl]methyl]carbamate (CID 60727389) is ethyl N-[[3-(2-methylpropanoylamino)phenyl]methyl]carbamate.
What is the SMILES notation for ethyl N-[[3-(2-methylpropanoylamino)phenyl]methyl]carbamate?
The canonical SMILES for ethyl N-[[3-(2-methylpropanoylamino)phenyl]methyl]carbamate is CCOC(=O)NCc1cccc(NC(=O)C(C)C)c1.
What is the InChIKey of ethyl N-[[3-(2-methylpropanoylamino)phenyl]methyl]carbamate?
The InChIKey is JPPDWYYQEAQWAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-4-19-14(18)15-9-11-6-5-7-12(8-11)16-13(17)10(2)3/h5-8,10H,4,9H2,1-3H3,(H,15,18)(H,16,17).
What are the key properties of ethyl N-[[3-(2-methylpropanoylamino)phenyl]methyl]carbamate?
ethyl N-[[3-(2-methylpropanoylamino)phenyl]methyl]carbamate has a molecular weight of 264.32 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[[3-(2-methylpropanoylamino)phenyl]methyl]carbamate is sourced from PubChem (CID 60727389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).