methyl N-[4-[[[4-(dimethylamino)benzoyl]amino]methyl]phenyl]carbamate

C18H21N3O3 — CID 60517999

IUPACmethyl N-[4-[[[4-(dimethylamino)benzoyl]amino]methyl]phenyl]carbamate
SMILESCOC(=O)Nc1ccc(CNC(=O)c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C18H21N3O3/c1-21(2)16-10-6-14(7-11-16)17(22)19-12-13-4-8-15(9-5-13)20-18(23)24-3/h4-11H,12H2,1-3H3,(H,19,22)(H,20,23)
InChIKeyAFGMZELOCHOQHU-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.86
Rot. Bonds5

About methyl N-[4-[[[4-(dimethylamino)benzoyl]amino]methyl]phenyl]carbamate

methyl N-[4-[[[4-(dimethylamino)benzoyl]amino]methyl]phenyl]carbamate (PubChem CID 60517999) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is methyl N-[4-[[[4-(dimethylamino)benzoyl]amino]methyl]phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-[[[4-(dimethylamino)benzoyl]amino]methyl]phenyl]carbamate
PubChem CID60517999
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Namemethyl N-[4-[[[4-(dimethylamino)benzoyl]amino]methyl]phenyl]carbamate
SMILESCOC(=O)Nc1ccc(CNC(=O)c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C18H21N3O3/c1-21(2)16-10-6-14(7-11-16)17(22)19-12-13-4-8-15(9-5-13)20-18(23)24-3/h4-11H,12H2,1-3H3,(H,19,22)(H,20,23)
InChIKeyAFGMZELOCHOQHU-UHFFFAOYSA-N
XLogP2.86
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl N-[4-(benzylcarbamoyl)phenyl]carbamate
CID 803106
methyl 2-[[4-[[4-(dimethylamino)phenyl]methylcarbamoylamino]benzoyl]amino]acetate
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4-(dimethylamino)-N-[(4-methylphenyl)methyl]benzamide
CID 669457
methyl N-[4-[[[4-(4-carbamoylphenoxy)benzoyl]amino]methyl]phenyl]carbamate
CID 56548905
methyl N-[4-[[[4-(ethylsulfamoyl)benzoyl]amino]methyl]phenyl]carbamate
CID 55846819
N-[[4-(diethylaminomethyl)phenyl]methyl]-4-(dimethylamino)benzamide
CID 24550915
4-[[[4-(dimethylamino)phenyl]carbamoylamino]methyl]benzoic acid
CID 108894779
methyl N-[4-(ethylcarbamoyl)phenyl]carbamate
CID 17123934
methyl N-[4-[[(2,3-dimethyl-1H-indole-5-carbonyl)amino]methyl]phenyl]carbamate
CID 60517718
tert-butyl N-[4-(benzylcarbamoyl)phenyl]carbamate
CID 9041136
N-[4-(bromomethyl)phenyl]-4-(dimethylamino)benzamide
CID 114310879
4-(chloromethyl)-N-[4-(dimethylamino)phenyl]benzamide
CID 43617033

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-[[[4-(dimethylamino)benzoyl]amino]methyl]phenyl]carbamate?
The IUPAC name of methyl N-[4-[[[4-(dimethylamino)benzoyl]amino]methyl]phenyl]carbamate (CID 60517999) is methyl N-[4-[[[4-(dimethylamino)benzoyl]amino]methyl]phenyl]carbamate.
What is the SMILES notation for methyl N-[4-[[[4-(dimethylamino)benzoyl]amino]methyl]phenyl]carbamate?
The canonical SMILES for methyl N-[4-[[[4-(dimethylamino)benzoyl]amino]methyl]phenyl]carbamate is COC(=O)Nc1ccc(CNC(=O)c2ccc(N(C)C)cc2)cc1.
What is the InChIKey of methyl N-[4-[[[4-(dimethylamino)benzoyl]amino]methyl]phenyl]carbamate?
The InChIKey is AFGMZELOCHOQHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-21(2)16-10-6-14(7-11-16)17(22)19-12-13-4-8-15(9-5-13)20-18(23)24-3/h4-11H,12H2,1-3H3,(H,19,22)(H,20,23).
What are the key properties of methyl N-[4-[[[4-(dimethylamino)benzoyl]amino]methyl]phenyl]carbamate?
methyl N-[4-[[[4-(dimethylamino)benzoyl]amino]methyl]phenyl]carbamate has a molecular weight of 327.38 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-[[[4-(dimethylamino)benzoyl]amino]methyl]phenyl]carbamate is sourced from PubChem (CID 60517999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).