3-(pentylcarbamoylamino)benzamide

C13H19N3O2 — CID 47033052

IUPAC3-(pentylcarbamoylamino)benzamide
SMILESCCCCCNC(=O)Nc1cccc(C(N)=O)c1
InChIInChI=1S/C13H19N3O2/c1-2-3-4-8-15-13(18)16-11-7-5-6-10(9-11)12(14)17/h5-7,9H,2-4,8H2,1H3,(H2,14,17)(H2,15,16,18)
InChIKeyYPFQKQYDUNBPSU-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.10
Rot. Bonds6

About 3-(pentylcarbamoylamino)benzamide

3-(pentylcarbamoylamino)benzamide (PubChem CID 47033052) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 3-(pentylcarbamoylamino)benzamide.

Molecular Properties

Compound Name3-(pentylcarbamoylamino)benzamide
PubChem CID47033052
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name3-(pentylcarbamoylamino)benzamide
SMILESCCCCCNC(=O)Nc1cccc(C(N)=O)c1
InChIInChI=1S/C13H19N3O2/c1-2-3-4-8-15-13(18)16-11-7-5-6-10(9-11)12(14)17/h5-7,9H,2-4,8H2,1H3,(H2,14,17)(H2,15,16,18)
InChIKeyYPFQKQYDUNBPSU-UHFFFAOYSA-N
XLogP2.10
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[[2-(butylcarbamoylamino)acetyl]amino]benzamide
CID 68729276
1-(3-chlorophenyl)-3-undecylurea
CID 4294975
1-dodecyl-3-phenylurea
CID 3697946
3-(heptanoylamino)benzamide
CID 54789184
1-(3-acetylphenyl)-3-heptylthiourea
CID 19650862
1-(3-acetylphenyl)-3-(5-hydroxypentyl)urea
CID 107302725
ethyl 3-(propylcarbamoylamino)benzoate
CID 19169955
ethyl N-[3-(pentylcarbamoyl)phenyl]carbamate
CID 17407696
1-(3-hydroxyphenyl)-3-[6-[(3-hydroxyphenyl)carbamoylamino]hexyl]urea
CID 71353515
5-(octadecylcarbamoylamino)benzene-1,3-dicarboxylic acid
CID 58559835
ethyl 3-(3-propoxypropylcarbamoylamino)benzoate
CID 3693237
N,N-diethyl-3-(propylcarbamoylamino)benzamide
CID 47103496

Frequently Asked Questions

What is the IUPAC name of 3-(pentylcarbamoylamino)benzamide?
The IUPAC name of 3-(pentylcarbamoylamino)benzamide (CID 47033052) is 3-(pentylcarbamoylamino)benzamide.
What is the SMILES notation for 3-(pentylcarbamoylamino)benzamide?
The canonical SMILES for 3-(pentylcarbamoylamino)benzamide is CCCCCNC(=O)Nc1cccc(C(N)=O)c1.
What is the InChIKey of 3-(pentylcarbamoylamino)benzamide?
The InChIKey is YPFQKQYDUNBPSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-2-3-4-8-15-13(18)16-11-7-5-6-10(9-11)12(14)17/h5-7,9H,2-4,8H2,1H3,(H2,14,17)(H2,15,16,18).
What are the key properties of 3-(pentylcarbamoylamino)benzamide?
3-(pentylcarbamoylamino)benzamide has a molecular weight of 249.31 g/mol, XLogP of 2.10, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(pentylcarbamoylamino)benzamide is sourced from PubChem (CID 47033052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).