3-[2-(2-ethylbutylcarbamoylamino)ethyl]benzamide

C16H25N3O2 — CID 75419884

IUPAC3-[2-(2-ethylbutylcarbamoylamino)ethyl]benzamide
SMILESCCC(CC)CNC(=O)NCCc1cccc(C(N)=O)c1
InChIInChI=1S/C16H25N3O2/c1-3-12(4-2)11-19-16(21)18-9-8-13-6-5-7-14(10-13)15(17)20/h5-7,10,12H,3-4,8-9,11H2,1-2H3,(H2,17,20)(H2,18,19,21)
InChIKeyGIYSMTUVKDDMHM-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.06
Rot. Bonds8

About 3-[2-(2-ethylbutylcarbamoylamino)ethyl]benzamide

3-[2-(2-ethylbutylcarbamoylamino)ethyl]benzamide (PubChem CID 75419884) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 3-[2-(2-ethylbutylcarbamoylamino)ethyl]benzamide.

Molecular Properties

Compound Name3-[2-(2-ethylbutylcarbamoylamino)ethyl]benzamide
PubChem CID75419884
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name3-[2-(2-ethylbutylcarbamoylamino)ethyl]benzamide
SMILESCCC(CC)CNC(=O)NCCc1cccc(C(N)=O)c1
InChIInChI=1S/C16H25N3O2/c1-3-12(4-2)11-19-16(21)18-9-8-13-6-5-7-14(10-13)15(17)20/h5-7,10,12H,3-4,8-9,11H2,1-2H3,(H2,17,20)(H2,18,19,21)
InChIKeyGIYSMTUVKDDMHM-UHFFFAOYSA-N
XLogP2.06
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl N-[2-(3-carbamoylphenyl)ethyl]carbamate
CID 137389832
3-[2-[(2-amino-2-methylpentanoyl)amino]ethyl]benzamide
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3-[2-(pentylcarbamoylamino)ethyl]benzoic acid
CID 63794580
3-[2-(6-azaspiro[2.5]octan-2-ylcarbamoylamino)ethyl]benzamide
CID 138034860
3-[2-[(1-aminocyclohexanecarbonyl)amino]ethyl]benzamide
CID 119315863
3-[(2-bromobutanoylamino)methyl]benzamide
CID 62855612
3-[2-[(3-aminocyclopentanecarbonyl)amino]ethyl]benzamide;hydrochloride
CID 119770305
3-[2-[[2-(3-methylphenoxy)acetyl]amino]ethyl]benzamide
CID 51108003
3-[2-(pentan-2-ylcarbamoylamino)ethyl]benzoic acid
CID 63794928
3-[2-[(2-amino-3-methylpentanoyl)amino]ethyl]benzoic acid
CID 63795309
3-[(propanoylamino)methyl]benzamide
CID 32636451
3-[2-[[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]carbamoylamino]ethyl]benzamide
CID 95303687

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-ethylbutylcarbamoylamino)ethyl]benzamide?
The IUPAC name of 3-[2-(2-ethylbutylcarbamoylamino)ethyl]benzamide (CID 75419884) is 3-[2-(2-ethylbutylcarbamoylamino)ethyl]benzamide.
What is the SMILES notation for 3-[2-(2-ethylbutylcarbamoylamino)ethyl]benzamide?
The canonical SMILES for 3-[2-(2-ethylbutylcarbamoylamino)ethyl]benzamide is CCC(CC)CNC(=O)NCCc1cccc(C(N)=O)c1.
What is the InChIKey of 3-[2-(2-ethylbutylcarbamoylamino)ethyl]benzamide?
The InChIKey is GIYSMTUVKDDMHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-3-12(4-2)11-19-16(21)18-9-8-13-6-5-7-14(10-13)15(17)20/h5-7,10,12H,3-4,8-9,11H2,1-2H3,(H2,17,20)(H2,18,19,21).
What are the key properties of 3-[2-(2-ethylbutylcarbamoylamino)ethyl]benzamide?
3-[2-(2-ethylbutylcarbamoylamino)ethyl]benzamide has a molecular weight of 291.39 g/mol, XLogP of 2.06, 8 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-ethylbutylcarbamoylamino)ethyl]benzamide is sourced from PubChem (CID 75419884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).