4-(carbamoylamino)-N-(4-hydroxypentyl)benzamide

C13H19N3O3 — CID 107300353

IUPAC4-(carbamoylamino)-N-(4-hydroxypentyl)benzamide
SMILESCC(O)CCCNC(=O)c1ccc(NC(N)=O)cc1
InChIInChI=1S/C13H19N3O3/c1-9(17)3-2-8-15-12(18)10-4-6-11(7-5-10)16-13(14)19/h4-7,9,17H,2-3,8H2,1H3,(H,15,18)(H3,14,16,19)
InChIKeyZRSITEJSZOOOBK-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.07
Rot. Bonds6

About 4-(carbamoylamino)-N-(4-hydroxypentyl)benzamide

4-(carbamoylamino)-N-(4-hydroxypentyl)benzamide (PubChem CID 107300353) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 4-(carbamoylamino)-N-(4-hydroxypentyl)benzamide.

Molecular Properties

Compound Name4-(carbamoylamino)-N-(4-hydroxypentyl)benzamide
PubChem CID107300353
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name4-(carbamoylamino)-N-(4-hydroxypentyl)benzamide
SMILESCC(O)CCCNC(=O)c1ccc(NC(N)=O)cc1
InChIInChI=1S/C13H19N3O3/c1-9(17)3-2-8-15-12(18)10-4-6-11(7-5-10)16-13(14)19/h4-7,9,17H,2-3,8H2,1H3,(H,15,18)(H3,14,16,19)
InChIKeyZRSITEJSZOOOBK-UHFFFAOYSA-N
XLogP1.07
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-hydroxy-N-(4-hydroxypentyl)benzamide
CID 107300182
4-(carbamoylamino)-N-(2-methylpropyl)benzamide
CID 47106060
4-(dimethylamino)-N-(4-hydroxypentyl)benzamide
CID 107329726
4-ethoxy-N-(4-hydroxypentyl)benzamide
CID 107299822
4-amino-N-[2-(4-hydroxypentylamino)-2-oxoethyl]benzamide
CID 106134450
3,5-diamino-N-(4-hydroxypentyl)benzamide
CID 114145961
N-(4-aminopentyl)-4-tert-butylbenzamide
CID 106122499
N-[2-(4-hydroxypentylamino)-2-oxoethyl]-4-methylbenzamide
CID 107300460
N-(4-hydroxypentyl)thiophene-3-carboxamide
CID 107299586
4-hydroxy-N-(3-hydroxybutyl)benzamide
CID 64912837
N-(4-amino-4-oxobutyl)-4-hydrazinylbenzamide
CID 62237082
3-(carbamoylamino)-N-(3-propan-2-yloxypropyl)benzamide
CID 29209849

Frequently Asked Questions

What is the IUPAC name of 4-(carbamoylamino)-N-(4-hydroxypentyl)benzamide?
The IUPAC name of 4-(carbamoylamino)-N-(4-hydroxypentyl)benzamide (CID 107300353) is 4-(carbamoylamino)-N-(4-hydroxypentyl)benzamide.
What is the SMILES notation for 4-(carbamoylamino)-N-(4-hydroxypentyl)benzamide?
The canonical SMILES for 4-(carbamoylamino)-N-(4-hydroxypentyl)benzamide is CC(O)CCCNC(=O)c1ccc(NC(N)=O)cc1.
What is the InChIKey of 4-(carbamoylamino)-N-(4-hydroxypentyl)benzamide?
The InChIKey is ZRSITEJSZOOOBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-9(17)3-2-8-15-12(18)10-4-6-11(7-5-10)16-13(14)19/h4-7,9,17H,2-3,8H2,1H3,(H,15,18)(H3,14,16,19).
What are the key properties of 4-(carbamoylamino)-N-(4-hydroxypentyl)benzamide?
4-(carbamoylamino)-N-(4-hydroxypentyl)benzamide has a molecular weight of 265.31 g/mol, XLogP of 1.07, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(carbamoylamino)-N-(4-hydroxypentyl)benzamide is sourced from PubChem (CID 107300353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).