1-(N-methylanilino)ethyl (2-propan-2-ylphenyl) carbonate

C19H23NO3 — CID 70631899

IUPAC1-(N-methylanilino)ethyl (2-propan-2-ylphenyl) carbonate
SMILESCC(C)c1ccccc1OC(=O)OC(C)N(C)c1ccccc1
InChIInChI=1S/C19H23NO3/c1-14(2)17-12-8-9-13-18(17)23-19(21)22-15(3)20(4)16-10-6-5-7-11-16/h5-15H,1-4H3
InChIKeySUAOPNNWCLWMHX-UHFFFAOYSA-N
MW313.40 g/mol
LogP4.81
Rot. Bonds5

About 1-(N-methylanilino)ethyl (2-propan-2-ylphenyl) carbonate

1-(N-methylanilino)ethyl (2-propan-2-ylphenyl) carbonate (PubChem CID 70631899) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is 1-(N-methylanilino)ethyl (2-propan-2-ylphenyl) carbonate.

Molecular Properties

Compound Name1-(N-methylanilino)ethyl (2-propan-2-ylphenyl) carbonate
PubChem CID70631899
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC Name1-(N-methylanilino)ethyl (2-propan-2-ylphenyl) carbonate
SMILESCC(C)c1ccccc1OC(=O)OC(C)N(C)c1ccccc1
InChIInChI=1S/C19H23NO3/c1-14(2)17-12-8-9-13-18(17)23-19(21)22-15(3)20(4)16-10-6-5-7-11-16/h5-15H,1-4H3
InChIKeySUAOPNNWCLWMHX-UHFFFAOYSA-N
XLogP4.81
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phenyl_carbonate', 'substructure': 'N/A'}

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Related Compounds

1-(N-methylanilino)ethyl (4-methylphenyl) carbonate
CID 70631980
(3-chlorophenyl) 1-(N-methylanilino)ethyl carbonate
CID 70632052
1-(3-ethoxy-N-methylanilino)ethyl phenyl carbonate
CID 70631943
(2R)-N,N-dimethyl-2-(2-propan-2-ylphenoxy)propanamide
CID 94011896
(2-propan-2-ylphenyl) 2-hydroxybenzoate
CID 22898697
1-propan-2-yl-2-prop-1-en-2-yloxybenzene
CID 22935766
1-[N-(1-methoxyethyl)anilino]ethyl phenyl carbonate
CID 21419953
(2S)-N-methyl-2-(5-methyl-2-propan-2-ylphenoxy)-N-phenylpropanamide
CID 94840107
(2-propan-2-ylphenyl) N-(2-chloroethenyl)carbamate
CID 71409311
N-methyl-2-(2-propan-2-ylphenoxy)acetohydrazide
CID 116820498
(2S)-N-[2-(dimethylamino)ethyl]-2-(2-propan-2-ylphenoxy)propanamide
CID 30379413
2-amino-4-(2-propan-2-ylphenoxy)butanoic acid
CID 63039168

Frequently Asked Questions

What is the IUPAC name of 1-(N-methylanilino)ethyl (2-propan-2-ylphenyl) carbonate?
The IUPAC name of 1-(N-methylanilino)ethyl (2-propan-2-ylphenyl) carbonate (CID 70631899) is 1-(N-methylanilino)ethyl (2-propan-2-ylphenyl) carbonate.
What is the SMILES notation for 1-(N-methylanilino)ethyl (2-propan-2-ylphenyl) carbonate?
The canonical SMILES for 1-(N-methylanilino)ethyl (2-propan-2-ylphenyl) carbonate is CC(C)c1ccccc1OC(=O)OC(C)N(C)c1ccccc1.
What is the InChIKey of 1-(N-methylanilino)ethyl (2-propan-2-ylphenyl) carbonate?
The InChIKey is SUAOPNNWCLWMHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3/c1-14(2)17-12-8-9-13-18(17)23-19(21)22-15(3)20(4)16-10-6-5-7-11-16/h5-15H,1-4H3.
What are the key properties of 1-(N-methylanilino)ethyl (2-propan-2-ylphenyl) carbonate?
1-(N-methylanilino)ethyl (2-propan-2-ylphenyl) carbonate has a molecular weight of 313.40 g/mol, XLogP of 4.81, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(N-methylanilino)ethyl (2-propan-2-ylphenyl) carbonate is sourced from PubChem (CID 70631899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).