2-[[4-(propylamino)benzoyl]amino]ethyl carbamate

C13H19N3O3 — CID 83215122

IUPAC2-[[4-(propylamino)benzoyl]amino]ethyl carbamate
SMILESCCCNc1ccc(C(=O)NCCOC(N)=O)cc1
InChIInChI=1S/C13H19N3O3/c1-2-7-15-11-5-3-10(4-6-11)12(17)16-8-9-19-13(14)18/h3-6,15H,2,7-9H2,1H3,(H2,14,18)(H,16,17)
InChIKeyHQDGBSKZLVRNHM-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.33
Rot. Bonds7

About 2-[[4-(propylamino)benzoyl]amino]ethyl carbamate

2-[[4-(propylamino)benzoyl]amino]ethyl carbamate (PubChem CID 83215122) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-[[4-(propylamino)benzoyl]amino]ethyl carbamate.

Molecular Properties

Compound Name2-[[4-(propylamino)benzoyl]amino]ethyl carbamate
PubChem CID83215122
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name2-[[4-(propylamino)benzoyl]amino]ethyl carbamate
SMILESCCCNc1ccc(C(=O)NCCOC(N)=O)cc1
InChIInChI=1S/C13H19N3O3/c1-2-7-15-11-5-3-10(4-6-11)12(17)16-8-9-19-13(14)18/h3-6,15H,2,7-9H2,1H3,(H2,14,18)(H,16,17)
InChIKeyHQDGBSKZLVRNHM-UHFFFAOYSA-N
XLogP1.33
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(5-amino-5-oxopentyl)-4-(propylamino)benzamide
CID 106241045
N-pentyl-4-(propylamino)benzamide
CID 62185567
2-(4-propanoylanilino)ethyl carbamate
CID 114066714
4-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]-N-propylbenzamide
CID 54835797
4-(propylamino)-N-(3-sulfamoylpropyl)benzamide
CID 62180515
N-(2,3-dimethylbutyl)-4-(propylamino)benzamide
CID 64581359
N-(cyclobutylmethyl)-4-(propylamino)benzamide
CID 62170357
N-(5-methylhexyl)-4-(propylamino)benzamide
CID 115327309
N-benzyl-4-(propylamino)benzamide
CID 62172438
1-N,4-N-bis[4-(propylcarbamoyl)phenyl]benzene-1,4-dicarboxamide
CID 17219360
2-[(3-bromo-4-methylbenzoyl)amino]ethyl carbamate
CID 83203375
N-(2-cyclohexylethyl)-4-(propylamino)benzamide
CID 62180221

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(propylamino)benzoyl]amino]ethyl carbamate?
The IUPAC name of 2-[[4-(propylamino)benzoyl]amino]ethyl carbamate (CID 83215122) is 2-[[4-(propylamino)benzoyl]amino]ethyl carbamate.
What is the SMILES notation for 2-[[4-(propylamino)benzoyl]amino]ethyl carbamate?
The canonical SMILES for 2-[[4-(propylamino)benzoyl]amino]ethyl carbamate is CCCNc1ccc(C(=O)NCCOC(N)=O)cc1.
What is the InChIKey of 2-[[4-(propylamino)benzoyl]amino]ethyl carbamate?
The InChIKey is HQDGBSKZLVRNHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-2-7-15-11-5-3-10(4-6-11)12(17)16-8-9-19-13(14)18/h3-6,15H,2,7-9H2,1H3,(H2,14,18)(H,16,17).
What are the key properties of 2-[[4-(propylamino)benzoyl]amino]ethyl carbamate?
2-[[4-(propylamino)benzoyl]amino]ethyl carbamate has a molecular weight of 265.31 g/mol, XLogP of 1.33, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(propylamino)benzoyl]amino]ethyl carbamate is sourced from PubChem (CID 83215122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).