[4-(dimethylamino)-3-propan-2-ylphenyl] N-phenylcarbamate;iodomethane

C19H25IN2O2 — CID 23621709

IUPAC[4-(dimethylamino)-3-propan-2-ylphenyl] N-phenylcarbamate;iodomethane
SMILESCC(C)c1cc(OC(=O)Nc2ccccc2)ccc1N(C)C.CI
InChIInChI=1S/C18H22N2O2.CH3I/c1-13(2)16-12-15(10-11-17(16)20(3)4)22-18(21)19-14-8-6-5-7-9-14;1-2/h5-13H,1-4H3,(H,19,21);1H3
InChIKeyXVFVHESAHPSEOW-UHFFFAOYSA-N
MW440.33 g/mol
LogP5.54
Rot. Bonds4

About [4-(dimethylamino)-3-propan-2-ylphenyl] N-phenylcarbamate;iodomethane

[4-(dimethylamino)-3-propan-2-ylphenyl] N-phenylcarbamate;iodomethane (PubChem CID 23621709) has the molecular formula C19H25IN2O2 and a molecular weight of 440.33 g/mol. Its IUPAC name is [4-(dimethylamino)-3-propan-2-ylphenyl] N-phenylcarbamate;iodomethane.

Molecular Properties

Compound Name[4-(dimethylamino)-3-propan-2-ylphenyl] N-phenylcarbamate;iodomethane
PubChem CID23621709
Molecular FormulaC19H25IN2O2
Molecular Weight440.33 g/mol
Exact Mass440.10
IUPAC Name[4-(dimethylamino)-3-propan-2-ylphenyl] N-phenylcarbamate;iodomethane
SMILESCC(C)c1cc(OC(=O)Nc2ccccc2)ccc1N(C)C.CI
InChIInChI=1S/C18H22N2O2.CH3I/c1-13(2)16-12-15(10-11-17(16)20(3)4)22-18(21)19-14-8-6-5-7-9-14;1-2/h5-13H,1-4H3,(H,19,21);1H3
InChIKeyXVFVHESAHPSEOW-UHFFFAOYSA-N
XLogP5.54
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.33
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4-acetamidophenyl) N-phenylcarbamate
CID 58706000
(3,5-dimethoxyphenyl) N-phenylcarbamate
CID 23281948
[3-(phenoxycarbonylamino)phenyl] N-methylcarbamate
CID 134105214
[3-(propanoylamino)phenyl] N-phenylcarbamate
CID 57133762
[3-(methylcarbamothioylamino)phenyl] N-phenylcarbamate
CID 160992044
N-ethyl-N-[3-(phenylcarbamoyloxy)phenyl]carbamate
CID 23210449
[3-[(Z,4S)-5-(dimethylamino)-4-methylpent-2-en-3-yl]phenyl] N-(4-propan-2-ylphenyl)carbamate
CID 68829982
naphthalen-2-yl N-(phenylcarbamothioyl)carbamate
CID 21430704
(1-phenyl-2,3-dihydroindol-5-yl) N-(4-propan-2-ylphenyl)carbamate
CID 86659883
phenyl N-(4-carbamoylphenyl)carbamate
CID 60631229
1,1,1-trifluoropropan-2-yl N-phenylcarbamate
CID 134123596
3-methyl-2-[4-[4-(phenylcarbamoyloxy)phenyl]-N-sulfinoanilino]butanoic acid
CID 67110804

Frequently Asked Questions

What is the IUPAC name of [4-(dimethylamino)-3-propan-2-ylphenyl] N-phenylcarbamate;iodomethane?
The IUPAC name of [4-(dimethylamino)-3-propan-2-ylphenyl] N-phenylcarbamate;iodomethane (CID 23621709) is [4-(dimethylamino)-3-propan-2-ylphenyl] N-phenylcarbamate;iodomethane.
What is the SMILES notation for [4-(dimethylamino)-3-propan-2-ylphenyl] N-phenylcarbamate;iodomethane?
The canonical SMILES for [4-(dimethylamino)-3-propan-2-ylphenyl] N-phenylcarbamate;iodomethane is CC(C)c1cc(OC(=O)Nc2ccccc2)ccc1N(C)C.CI.
What is the InChIKey of [4-(dimethylamino)-3-propan-2-ylphenyl] N-phenylcarbamate;iodomethane?
The InChIKey is XVFVHESAHPSEOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2.CH3I/c1-13(2)16-12-15(10-11-17(16)20(3)4)22-18(21)19-14-8-6-5-7-9-14;1-2/h5-13H,1-4H3,(H,19,21);1H3.
What are the key properties of [4-(dimethylamino)-3-propan-2-ylphenyl] N-phenylcarbamate;iodomethane?
[4-(dimethylamino)-3-propan-2-ylphenyl] N-phenylcarbamate;iodomethane has a molecular weight of 440.33 g/mol, XLogP of 5.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(dimethylamino)-3-propan-2-ylphenyl] N-phenylcarbamate;iodomethane is sourced from PubChem (CID 23621709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).