3-[[2-(tert-butylamino)acetyl]amino]-N-cyclopropylbenzamide

C16H23N3O2 — CID 17415806

IUPAC3-[[2-(tert-butylamino)acetyl]amino]-N-cyclopropylbenzamide
SMILESCC(C)(C)NCC(=O)Nc1cccc(C(=O)NC2CC2)c1
InChIInChI=1S/C16H23N3O2/c1-16(2,3)17-10-14(20)18-13-6-4-5-11(9-13)15(21)19-12-7-8-12/h4-6,9,12,17H,7-8,10H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyGRGCYKHHGKCMHF-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.91
Rot. Bonds5

About 3-[[2-(tert-butylamino)acetyl]amino]-N-cyclopropylbenzamide

3-[[2-(tert-butylamino)acetyl]amino]-N-cyclopropylbenzamide (PubChem CID 17415806) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 3-[[2-(tert-butylamino)acetyl]amino]-N-cyclopropylbenzamide.

Molecular Properties

Compound Name3-[[2-(tert-butylamino)acetyl]amino]-N-cyclopropylbenzamide
PubChem CID17415806
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name3-[[2-(tert-butylamino)acetyl]amino]-N-cyclopropylbenzamide
SMILESCC(C)(C)NCC(=O)Nc1cccc(C(=O)NC2CC2)c1
InChIInChI=1S/C16H23N3O2/c1-16(2,3)17-10-14(20)18-13-6-4-5-11(9-13)15(21)19-12-7-8-12/h4-6,9,12,17H,7-8,10H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyGRGCYKHHGKCMHF-UHFFFAOYSA-N
XLogP1.91
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-acetylphenyl)-2-(tert-butylamino)acetamide
CID 31628083
N-cyclopropyl-3-[[2-[(2-phenylacetyl)amino]acetyl]amino]benzamide
CID 26110998
3-[[2-[(3-chlorobenzoyl)amino]acetyl]amino]-N-cyclopropylbenzamide
CID 26110931
3-[(4-tert-butylbenzoyl)amino]-N-cyclopropylbenzamide
CID 26110808
3-[(2-cyanoacetyl)amino]-N-cyclopropylbenzamide
CID 168520744
3-[3-(4-tert-butylphenyl)propanoylamino]-N-cyclopropylbenzamide
CID 46698713
4-[[3-(propanoylamino)benzoyl]amino]cyclohexane-1-carboxylic acid
CID 119229392
N-cyclopropyl-3-[3-(4-methylphenyl)propanoylamino]benzamide
CID 18121849
N-[3-(cyclopropylcarbamoyl)phenyl]-3,5-dimethylbenzamide
CID 16567528
N-cyclopropyl-3-(5-hydroxypentanoylamino)benzamide
CID 79199370
3-(2,2-dimethylpropanoylamino)-N-(4-methylcyclohexyl)benzamide
CID 134057675
3-(carbamoylamino)-N-cyclopropylbenzamide
CID 9210111

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(tert-butylamino)acetyl]amino]-N-cyclopropylbenzamide?
The IUPAC name of 3-[[2-(tert-butylamino)acetyl]amino]-N-cyclopropylbenzamide (CID 17415806) is 3-[[2-(tert-butylamino)acetyl]amino]-N-cyclopropylbenzamide.
What is the SMILES notation for 3-[[2-(tert-butylamino)acetyl]amino]-N-cyclopropylbenzamide?
The canonical SMILES for 3-[[2-(tert-butylamino)acetyl]amino]-N-cyclopropylbenzamide is CC(C)(C)NCC(=O)Nc1cccc(C(=O)NC2CC2)c1.
What is the InChIKey of 3-[[2-(tert-butylamino)acetyl]amino]-N-cyclopropylbenzamide?
The InChIKey is GRGCYKHHGKCMHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-16(2,3)17-10-14(20)18-13-6-4-5-11(9-13)15(21)19-12-7-8-12/h4-6,9,12,17H,7-8,10H2,1-3H3,(H,18,20)(H,19,21).
What are the key properties of 3-[[2-(tert-butylamino)acetyl]amino]-N-cyclopropylbenzamide?
3-[[2-(tert-butylamino)acetyl]amino]-N-cyclopropylbenzamide has a molecular weight of 289.38 g/mol, XLogP of 1.91, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(tert-butylamino)acetyl]amino]-N-cyclopropylbenzamide is sourced from PubChem (CID 17415806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).