2-(dimethylamino)ethyl N,N-dibenzylcarbamate;iodomethane

C20H27IN2O2 — CID 21119463

IUPAC2-(dimethylamino)ethyl N,N-dibenzylcarbamate;iodomethane
SMILESCI.CN(C)CCOC(=O)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C19H24N2O2.CH3I/c1-20(2)13-14-23-19(22)21(15-17-9-5-3-6-10-17)16-18-11-7-4-8-12-18;1-2/h3-12H,13-16H2,1-2H3;1H3
InChIKeyOAYMAWYNKKMTNS-UHFFFAOYSA-N
MW454.35 g/mol
LogP4.44
Rot. Bonds7

About 2-(dimethylamino)ethyl N,N-dibenzylcarbamate;iodomethane

2-(dimethylamino)ethyl N,N-dibenzylcarbamate;iodomethane (PubChem CID 21119463) has the molecular formula C20H27IN2O2 and a molecular weight of 454.35 g/mol. Its IUPAC name is 2-(dimethylamino)ethyl N,N-dibenzylcarbamate;iodomethane.

Molecular Properties

Compound Name2-(dimethylamino)ethyl N,N-dibenzylcarbamate;iodomethane
PubChem CID21119463
Molecular FormulaC20H27IN2O2
Molecular Weight454.35 g/mol
Exact Mass454.11
IUPAC Name2-(dimethylamino)ethyl N,N-dibenzylcarbamate;iodomethane
SMILESCI.CN(C)CCOC(=O)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C19H24N2O2.CH3I/c1-20(2)13-14-23-19(22)21(15-17-9-5-3-6-10-17)16-18-11-7-4-8-12-18;1-2/h3-12H,13-16H2,1-2H3;1H3
InChIKeyOAYMAWYNKKMTNS-UHFFFAOYSA-N
XLogP4.44
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.35
LogP ≤ 54.44
H-Bond Donors ≤ 50
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

2-(dimethylamino)ethyl 2-phenylacetate;hydrochloride
CID 2930131
(111C)methyl N,N-dibenzylcarbamate
CID 10106358
benzyl N-benzyl-N-ethylcarbamate
CID 70968693
2-(dimethylamino)ethyl 2-benzyl-3-phenylpropanoate;hydrochloride
CID 24834682
2-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl tert-butyl carbonate
CID 12028342
2-(dimethylamino)ethyl benzoate;hydroiodide
CID 2752377
2-phenylethyl N,N-dipropylcarbamate
CID 11096967
carbonic acid;N,N-dimethyl-1-phenylmethanamine
CID 69138278
1-(2-aminoethyl)-1-benzyl-3,3-dimethylurea
CID 79153729
N,N-dimethyl-2-(3-phenylpropoxy)ethanamine;oxalic acid
CID 70682052
N-benzyl-N-[2-(dimethylamino)ethyl]-3-oxobutanamide
CID 54876796
N-benzyl-N-[2-(dimethylamino)ethyl]-2,2,2-trifluoroacetamide
CID 60707749

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)ethyl N,N-dibenzylcarbamate;iodomethane?
The IUPAC name of 2-(dimethylamino)ethyl N,N-dibenzylcarbamate;iodomethane (CID 21119463) is 2-(dimethylamino)ethyl N,N-dibenzylcarbamate;iodomethane.
What is the SMILES notation for 2-(dimethylamino)ethyl N,N-dibenzylcarbamate;iodomethane?
The canonical SMILES for 2-(dimethylamino)ethyl N,N-dibenzylcarbamate;iodomethane is CI.CN(C)CCOC(=O)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of 2-(dimethylamino)ethyl N,N-dibenzylcarbamate;iodomethane?
The InChIKey is OAYMAWYNKKMTNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2.CH3I/c1-20(2)13-14-23-19(22)21(15-17-9-5-3-6-10-17)16-18-11-7-4-8-12-18;1-2/h3-12H,13-16H2,1-2H3;1H3.
What are the key properties of 2-(dimethylamino)ethyl N,N-dibenzylcarbamate;iodomethane?
2-(dimethylamino)ethyl N,N-dibenzylcarbamate;iodomethane has a molecular weight of 454.35 g/mol, XLogP of 4.44, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)ethyl N,N-dibenzylcarbamate;iodomethane is sourced from PubChem (CID 21119463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).