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

C16H17N3O3 — CID 151717833

IUPAC[4-[[4-(dimethylamino)benzoyl]amino]phenyl] carbamate
SMILESCN(C)c1ccc(C(=O)Nc2ccc(OC(N)=O)cc2)cc1
InChIInChI=1S/C16H17N3O3/c1-19(2)13-7-3-11(4-8-13)15(20)18-12-5-9-14(10-6-12)22-16(17)21/h3-10H,1-2H3,(H2,17,21)(H,18,20)
InChIKeyRHXYJGIECUNPJB-UHFFFAOYSA-N
MW299.33 g/mol
LogP2.46
Rot. Bonds4

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

[4-[[4-(dimethylamino)benzoyl]amino]phenyl] carbamate (PubChem CID 151717833) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is [4-[[4-(dimethylamino)benzoyl]amino]phenyl] carbamate.

Molecular Properties

Compound Name[4-[[4-(dimethylamino)benzoyl]amino]phenyl] carbamate
PubChem CID151717833
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC Name[4-[[4-(dimethylamino)benzoyl]amino]phenyl] carbamate
SMILESCN(C)c1ccc(C(=O)Nc2ccc(OC(N)=O)cc2)cc1
InChIInChI=1S/C16H17N3O3/c1-19(2)13-7-3-11(4-8-13)15(20)18-12-5-9-14(10-6-12)22-16(17)21/h3-10H,1-2H3,(H2,17,21)(H,18,20)
InChIKeyRHXYJGIECUNPJB-UHFFFAOYSA-N
XLogP2.46
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [4-[[4-(dimethylamino)benzoyl]amino]phenyl] carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(dimethylamino)-N-(4-methoxyphenyl)benzamide
CID 867710
N-[4-(2-amino-2-oxoethoxy)phenyl]-4-(dimethylamino)benzamide
CID 38381282
N-(4-acetamidophenyl)-4-(dimethylamino)benzamide
CID 669679
4-[[4-(dimethylamino)phenyl]carbamoyl]benzoyl chloride
CID 122527773
4-(dimethylamino)-N-(4-iodophenyl)benzamide
CID 590767
4-amino-N-[4-[4-[[4-(dimethylamino)benzoyl]amino]anilino]phenyl]benzamide
CID 129035701
4-N-tert-butyl-1-N-[4-(dimethylamino)phenyl]benzene-1,4-dicarboxamide
CID 109048526
1-N-[4-(dimethylamino)phenyl]-4-N-(3-methoxyphenyl)benzene-1,4-dicarboxamide
CID 109050069
N-[4-(bromomethyl)phenyl]-4-(dimethylamino)benzamide
CID 114310879
4-(chloromethyl)-N-[4-(dimethylamino)phenyl]benzamide
CID 43617033
N-[4-(dimethylamino)phenyl]-4-(pyrrolidine-1-carbonyl)benzamide
CID 109044347
[4-(methylcarbamoyl)phenyl] carbamate
CID 20789580

Frequently Asked Questions

What is the IUPAC name of [4-[[4-(dimethylamino)benzoyl]amino]phenyl] carbamate?
The IUPAC name of [4-[[4-(dimethylamino)benzoyl]amino]phenyl] carbamate (CID 151717833) is [4-[[4-(dimethylamino)benzoyl]amino]phenyl] carbamate.
What is the SMILES notation for [4-[[4-(dimethylamino)benzoyl]amino]phenyl] carbamate?
The canonical SMILES for [4-[[4-(dimethylamino)benzoyl]amino]phenyl] carbamate is CN(C)c1ccc(C(=O)Nc2ccc(OC(N)=O)cc2)cc1.
What is the InChIKey of [4-[[4-(dimethylamino)benzoyl]amino]phenyl] carbamate?
The InChIKey is RHXYJGIECUNPJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3/c1-19(2)13-7-3-11(4-8-13)15(20)18-12-5-9-14(10-6-12)22-16(17)21/h3-10H,1-2H3,(H2,17,21)(H,18,20).
What are the key properties of [4-[[4-(dimethylamino)benzoyl]amino]phenyl] carbamate?
[4-[[4-(dimethylamino)benzoyl]amino]phenyl] carbamate has a molecular weight of 299.33 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[4-(dimethylamino)benzoyl]amino]phenyl] carbamate is sourced from PubChem (CID 151717833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).