[[2-(dimethylamino)benzoyl]amino] N-propylcarbamate

C13H19N3O3 — CID 174903073

IUPAC[[2-(dimethylamino)benzoyl]amino] N-propylcarbamate
SMILESCCCNC(=O)ONC(=O)c1ccccc1N(C)C
InChIInChI=1S/C13H19N3O3/c1-4-9-14-13(18)19-15-12(17)10-7-5-6-8-11(10)16(2)3/h5-8H,4,9H2,1-3H3,(H,14,18)(H,15,17)
InChIKeyJZGPDUNGTKWNDV-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.53
Rot. Bonds4

About [[2-(dimethylamino)benzoyl]amino] N-propylcarbamate

[[2-(dimethylamino)benzoyl]amino] N-propylcarbamate (PubChem CID 174903073) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is [[2-(dimethylamino)benzoyl]amino] N-propylcarbamate.

Molecular Properties

Compound Name[[2-(dimethylamino)benzoyl]amino] N-propylcarbamate
PubChem CID174903073
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name[[2-(dimethylamino)benzoyl]amino] N-propylcarbamate
SMILESCCCNC(=O)ONC(=O)c1ccccc1N(C)C
InChIInChI=1S/C13H19N3O3/c1-4-9-14-13(18)19-15-12(17)10-7-5-6-8-11(10)16(2)3/h5-8H,4,9H2,1-3H3,(H,14,18)(H,15,17)
InChIKeyJZGPDUNGTKWNDV-UHFFFAOYSA-N
XLogP1.53
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(dimethylamino)-N-[2-(2-hydroxyethoxy)ethyl]benzamide
CID 110463514
azane;ethyl 2-(dimethylamino)benzoate
CID 70426390
2-(dimethylamino)-5-[(2-methoxybenzoyl)amino]-N-propylbenzamide
CID 4520779
2-[2-(dimethylamino)benzenecarboximidoyl]-N,N-dimethylaniline
CID 87624044
[2-(propylcarbamoyl)phenyl]boronic acid
CID 71302340
2-hydrazinyl-N-propylbenzamide
CID 62238054
2-(diaminoamino)-N-[2-(methylamino)ethyl]benzamide
CID 121427028
2-(dimethylamino)-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
CID 110463483
2-(dimethylamino)benzoic acid;ethene
CID 157119009
2-(dimethylamino)-N-[(1-methylpyrrol-2-yl)methyl]benzamide
CID 110473301
2-[[2-(dimethylamino)benzoyl]amino]-3-hydroxypropanoic acid
CID 110463513
2-[[1-oxo-1-(propylamino)propan-2-yl]carbamoyl]benzoic acid
CID 60941467

Frequently Asked Questions

What is the IUPAC name of [[2-(dimethylamino)benzoyl]amino] N-propylcarbamate?
The IUPAC name of [[2-(dimethylamino)benzoyl]amino] N-propylcarbamate (CID 174903073) is [[2-(dimethylamino)benzoyl]amino] N-propylcarbamate.
What is the SMILES notation for [[2-(dimethylamino)benzoyl]amino] N-propylcarbamate?
The canonical SMILES for [[2-(dimethylamino)benzoyl]amino] N-propylcarbamate is CCCNC(=O)ONC(=O)c1ccccc1N(C)C.
What is the InChIKey of [[2-(dimethylamino)benzoyl]amino] N-propylcarbamate?
The InChIKey is JZGPDUNGTKWNDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-4-9-14-13(18)19-15-12(17)10-7-5-6-8-11(10)16(2)3/h5-8H,4,9H2,1-3H3,(H,14,18)(H,15,17).
What are the key properties of [[2-(dimethylamino)benzoyl]amino] N-propylcarbamate?
[[2-(dimethylamino)benzoyl]amino] N-propylcarbamate has a molecular weight of 265.31 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [[2-(dimethylamino)benzoyl]amino] N-propylcarbamate is sourced from PubChem (CID 174903073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).