3-[[2-(tert-butylamino)acetyl]amino]-4-chloro-N,N-dimethylbenzamide

C15H22ClN3O2 — CID 78954083

IUPAC3-[[2-(tert-butylamino)acetyl]amino]-4-chloro-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(Cl)c(NC(=O)CNC(C)(C)C)c1
InChIInChI=1S/C15H22ClN3O2/c1-15(2,3)17-9-13(20)18-12-8-10(6-7-11(12)16)14(21)19(4)5/h6-8,17H,9H2,1-5H3,(H,18,20)
InChIKeyLDJJBRBNGSGHNX-UHFFFAOYSA-N
MW311.81 g/mol
LogP2.37
Rot. Bonds4

About 3-[[2-(tert-butylamino)acetyl]amino]-4-chloro-N,N-dimethylbenzamide

3-[[2-(tert-butylamino)acetyl]amino]-4-chloro-N,N-dimethylbenzamide (PubChem CID 78954083) has the molecular formula C15H22ClN3O2 and a molecular weight of 311.81 g/mol. Its IUPAC name is 3-[[2-(tert-butylamino)acetyl]amino]-4-chloro-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-[[2-(tert-butylamino)acetyl]amino]-4-chloro-N,N-dimethylbenzamide
PubChem CID78954083
Molecular FormulaC15H22ClN3O2
Molecular Weight311.81 g/mol
Exact Mass311.14
IUPAC Name3-[[2-(tert-butylamino)acetyl]amino]-4-chloro-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(Cl)c(NC(=O)CNC(C)(C)C)c1
InChIInChI=1S/C15H22ClN3O2/c1-15(2,3)17-9-13(20)18-12-8-10(6-7-11(12)16)14(21)19(4)5/h6-8,17H,9H2,1-5H3,(H,18,20)
InChIKeyLDJJBRBNGSGHNX-UHFFFAOYSA-N
XLogP2.37
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-(tert-butylamino)acetyl]amino]-4-chlorobenzoic acid
CID 79256869
4-chloro-N,N-dimethyl-3-[[2-(methylamino)acetyl]amino]benzamide
CID 43697266
3-[(2-amino-2-methylpropanoyl)amino]-4-chloro-N,N-dimethylbenzamide
CID 61265397
5-[2-chloro-5-(dimethylcarbamoyl)anilino]-5-oxopentanoic acid
CID 60940816
4-chloro-3-[[2-(2-chlorophenyl)acetyl]amino]-N,N-dimethylbenzamide
CID 38957066
3-[[2-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]acetyl]amino]-4-chlorobenzoic acid
CID 103242980
4-chloro-N,N-dimethyl-3-[[2-(2-methylindol-1-yl)acetyl]amino]benzamide
CID 55603749
4-chloro-N,N-dimethyl-3-[[2-(2-methylpropylsulfonyl)acetyl]amino]benzamide
CID 86998308
4-chloro-3-[[2-(4-iodophenoxy)acetyl]amino]-N,N-dimethylbenzamide
CID 55670012
3-(but-2-enoylamino)-4-chloro-N,N-dimethylbenzamide
CID 112727335
(E)-4-[2-chloro-5-(dimethylcarbamoyl)anilino]-4-oxobut-2-enoic acid
CID 60940815
4-chloro-N,N-dimethyl-3-(pentylamino)benzamide
CID 43738706

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(tert-butylamino)acetyl]amino]-4-chloro-N,N-dimethylbenzamide?
The IUPAC name of 3-[[2-(tert-butylamino)acetyl]amino]-4-chloro-N,N-dimethylbenzamide (CID 78954083) is 3-[[2-(tert-butylamino)acetyl]amino]-4-chloro-N,N-dimethylbenzamide.
What is the SMILES notation for 3-[[2-(tert-butylamino)acetyl]amino]-4-chloro-N,N-dimethylbenzamide?
The canonical SMILES for 3-[[2-(tert-butylamino)acetyl]amino]-4-chloro-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(Cl)c(NC(=O)CNC(C)(C)C)c1.
What is the InChIKey of 3-[[2-(tert-butylamino)acetyl]amino]-4-chloro-N,N-dimethylbenzamide?
The InChIKey is LDJJBRBNGSGHNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O2/c1-15(2,3)17-9-13(20)18-12-8-10(6-7-11(12)16)14(21)19(4)5/h6-8,17H,9H2,1-5H3,(H,18,20).
What are the key properties of 3-[[2-(tert-butylamino)acetyl]amino]-4-chloro-N,N-dimethylbenzamide?
3-[[2-(tert-butylamino)acetyl]amino]-4-chloro-N,N-dimethylbenzamide has a molecular weight of 311.81 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(tert-butylamino)acetyl]amino]-4-chloro-N,N-dimethylbenzamide is sourced from PubChem (CID 78954083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).