1-phenoxypropan-2-yl N-[2-(methylamino)ethyl]carbamate

C13H20N2O3 — CID 118910868

IUPAC1-phenoxypropan-2-yl N-[2-(methylamino)ethyl]carbamate
SMILESCNCCNC(=O)OC(C)COc1ccccc1
InChIInChI=1S/C13H20N2O3/c1-11(18-13(16)15-9-8-14-2)10-17-12-6-4-3-5-7-12/h3-7,11,14H,8-10H2,1-2H3,(H,15,16)
InChIKeyOKYWYXASWNEKBR-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.40
Rot. Bonds7

About 1-phenoxypropan-2-yl N-[2-(methylamino)ethyl]carbamate

1-phenoxypropan-2-yl N-[2-(methylamino)ethyl]carbamate (PubChem CID 118910868) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 1-phenoxypropan-2-yl N-[2-(methylamino)ethyl]carbamate.

Molecular Properties

Compound Name1-phenoxypropan-2-yl N-[2-(methylamino)ethyl]carbamate
PubChem CID118910868
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name1-phenoxypropan-2-yl N-[2-(methylamino)ethyl]carbamate
SMILESCNCCNC(=O)OC(C)COc1ccccc1
InChIInChI=1S/C13H20N2O3/c1-11(18-13(16)15-9-8-14-2)10-17-12-6-4-3-5-7-12/h3-7,11,14H,8-10H2,1-2H3,(H,15,16)
InChIKeyOKYWYXASWNEKBR-UHFFFAOYSA-N
XLogP1.40
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-phenoxypropan-2-yl benzoate
CID 59854364
1-phenoxybutan-2-yl N-propylcarbamate
CID 143240308
N-[2-(methylamino)ethyl]-2-phenoxypropanamide
CID 119503949
(1-chloro-3-phenoxypropan-2-yl) N-ethylcarbamate
CID 3048741
1-(4-phenylmethoxyphenoxy)propan-2-yl acetate
CID 54480267
[(2S)-1-phenoxypropan-2-yl] (2S)-2-methyl-3-oxoheptanoate
CID 18444108
benzyl N-[2-(methylamino)ethyl]carbamate
CID 10822258
O-(1-phenoxypropan-2-yl) N-(2-phenoxyacetyl)-N-phenylcarbamothioate
CID 503655
1-[1-(1-phenoxypropan-2-yloxy)propan-2-yloxy]propan-2-yl prop-2-enoate
CID 69379024
1-phenoxypropan-2-yl 2-propoxypropanoate
CID 173394224
(2S)-2-methyl-3-phenoxypropanoic acid
CID 11367349
butan-2-yl N-[2-(4-butan-2-yloxyphenoxy)ethyl]carbamate
CID 14552663

Frequently Asked Questions

What is the IUPAC name of 1-phenoxypropan-2-yl N-[2-(methylamino)ethyl]carbamate?
The IUPAC name of 1-phenoxypropan-2-yl N-[2-(methylamino)ethyl]carbamate (CID 118910868) is 1-phenoxypropan-2-yl N-[2-(methylamino)ethyl]carbamate.
What is the SMILES notation for 1-phenoxypropan-2-yl N-[2-(methylamino)ethyl]carbamate?
The canonical SMILES for 1-phenoxypropan-2-yl N-[2-(methylamino)ethyl]carbamate is CNCCNC(=O)OC(C)COc1ccccc1.
What is the InChIKey of 1-phenoxypropan-2-yl N-[2-(methylamino)ethyl]carbamate?
The InChIKey is OKYWYXASWNEKBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-11(18-13(16)15-9-8-14-2)10-17-12-6-4-3-5-7-12/h3-7,11,14H,8-10H2,1-2H3,(H,15,16).
What are the key properties of 1-phenoxypropan-2-yl N-[2-(methylamino)ethyl]carbamate?
1-phenoxypropan-2-yl N-[2-(methylamino)ethyl]carbamate has a molecular weight of 252.31 g/mol, XLogP of 1.40, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenoxypropan-2-yl N-[2-(methylamino)ethyl]carbamate is sourced from PubChem (CID 118910868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).