2-[2-[(tert-butylamino)methyl]-3-chloro-N-propan-2-ylanilino]acetamide

C16H26ClN3O — CID 63072064

IUPAC2-[2-[(tert-butylamino)methyl]-3-chloro-N-propan-2-ylanilino]acetamide
SMILESCC(C)N(CC(N)=O)c1cccc(Cl)c1CNC(C)(C)C
InChIInChI=1S/C16H26ClN3O/c1-11(2)20(10-15(18)21)14-8-6-7-13(17)12(14)9-19-16(3,4)5/h6-8,11,19H,9-10H2,1-5H3,(H2,18,21)
InChIKeyBRJPHYRLNPXYST-UHFFFAOYSA-N
MW311.86 g/mol
LogP2.93
Rot. Bonds6

About 2-[2-[(tert-butylamino)methyl]-3-chloro-N-propan-2-ylanilino]acetamide

2-[2-[(tert-butylamino)methyl]-3-chloro-N-propan-2-ylanilino]acetamide (PubChem CID 63072064) has the molecular formula C16H26ClN3O and a molecular weight of 311.86 g/mol. Its IUPAC name is 2-[2-[(tert-butylamino)methyl]-3-chloro-N-propan-2-ylanilino]acetamide.

Molecular Properties

Compound Name2-[2-[(tert-butylamino)methyl]-3-chloro-N-propan-2-ylanilino]acetamide
PubChem CID63072064
Molecular FormulaC16H26ClN3O
Molecular Weight311.86 g/mol
Exact Mass311.18
IUPAC Name2-[2-[(tert-butylamino)methyl]-3-chloro-N-propan-2-ylanilino]acetamide
SMILESCC(C)N(CC(N)=O)c1cccc(Cl)c1CNC(C)(C)C
InChIInChI=1S/C16H26ClN3O/c1-11(2)20(10-15(18)21)14-8-6-7-13(17)12(14)9-19-16(3,4)5/h6-8,11,19H,9-10H2,1-5H3,(H2,18,21)
InChIKeyBRJPHYRLNPXYST-UHFFFAOYSA-N
XLogP2.93
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.86
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-chloro-2-(ethylaminomethyl)-N-propan-2-ylanilino]acetamide
CID 54989235
2-[3-chloro-2-(hydroxymethyl)-N-propan-2-ylanilino]acetamide
CID 54989045
2-[(tert-butylamino)methyl]-3-chloro-N-(cyclopropylmethyl)-N-propan-2-ylaniline
CID 63551010
2-[2-[(tert-butylamino)methyl]-3-chloro-N-methylanilino]-N,N-dimethylacetamide
CID 63060390
3-[2-[(tert-butylamino)methyl]-3-chlorophenoxy]propanamide
CID 114319843
methyl 2-[2-[(tert-butylamino)methyl]-3-chlorophenoxy]propanoate
CID 114319806
2-[N-(2-amino-2-oxoethyl)-2-[(tert-butylamino)methyl]anilino]acetamide
CID 63072276
2-[(tert-butylamino)methyl]-3-chloro-N-cyclopentyl-N-methylaniline
CID 63552442
N'-[2-[(tert-butylamino)methyl]-3-chlorophenyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63698868
2-[(tert-butylamino)methyl]-3-chloro-N-methyl-N-(1-methylsulfanylbutan-2-yl)aniline
CID 115986284
2-[4-(aminomethyl)-2-chloro-N-propan-2-ylanilino]acetamide
CID 63088349
2-[2-[(1R)-1-hydroxypropyl]-N-propan-2-ylanilino]acetamide
CID 113358980

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(tert-butylamino)methyl]-3-chloro-N-propan-2-ylanilino]acetamide?
The IUPAC name of 2-[2-[(tert-butylamino)methyl]-3-chloro-N-propan-2-ylanilino]acetamide (CID 63072064) is 2-[2-[(tert-butylamino)methyl]-3-chloro-N-propan-2-ylanilino]acetamide.
What is the SMILES notation for 2-[2-[(tert-butylamino)methyl]-3-chloro-N-propan-2-ylanilino]acetamide?
The canonical SMILES for 2-[2-[(tert-butylamino)methyl]-3-chloro-N-propan-2-ylanilino]acetamide is CC(C)N(CC(N)=O)c1cccc(Cl)c1CNC(C)(C)C.
What is the InChIKey of 2-[2-[(tert-butylamino)methyl]-3-chloro-N-propan-2-ylanilino]acetamide?
The InChIKey is BRJPHYRLNPXYST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClN3O/c1-11(2)20(10-15(18)21)14-8-6-7-13(17)12(14)9-19-16(3,4)5/h6-8,11,19H,9-10H2,1-5H3,(H2,18,21).
What are the key properties of 2-[2-[(tert-butylamino)methyl]-3-chloro-N-propan-2-ylanilino]acetamide?
2-[2-[(tert-butylamino)methyl]-3-chloro-N-propan-2-ylanilino]acetamide has a molecular weight of 311.86 g/mol, XLogP of 2.93, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(tert-butylamino)methyl]-3-chloro-N-propan-2-ylanilino]acetamide is sourced from PubChem (CID 63072064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).