N-tert-butyl-2-[[2-[(4-chlorophenyl)methyl-cyclopropylamino]acetyl]-methylamino]acetamide

C19H28ClN3O2 — CID 55828636

IUPACN-tert-butyl-2-[[2-[(4-chlorophenyl)methyl-cyclopropylamino]acetyl]-methylamino]acetamide
SMILESCN(CC(=O)NC(C)(C)C)C(=O)CN(Cc1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C19H28ClN3O2/c1-19(2,3)21-17(24)12-22(4)18(25)13-23(16-9-10-16)11-14-5-7-15(20)8-6-14/h5-8,16H,9-13H2,1-4H3,(H,21,24)
InChIKeyWWJJLSMWDVPREU-UHFFFAOYSA-N
MW365.91 g/mol
LogP2.68
Rot. Bonds7

About N-tert-butyl-2-[[2-[(4-chlorophenyl)methyl-cyclopropylamino]acetyl]-methylamino]acetamide

N-tert-butyl-2-[[2-[(4-chlorophenyl)methyl-cyclopropylamino]acetyl]-methylamino]acetamide (PubChem CID 55828636) has the molecular formula C19H28ClN3O2 and a molecular weight of 365.91 g/mol. Its IUPAC name is N-tert-butyl-2-[[2-[(4-chlorophenyl)methyl-cyclopropylamino]acetyl]-methylamino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[[2-[(4-chlorophenyl)methyl-cyclopropylamino]acetyl]-methylamino]acetamide
PubChem CID55828636
Molecular FormulaC19H28ClN3O2
Molecular Weight365.91 g/mol
Exact Mass365.19
IUPAC NameN-tert-butyl-2-[[2-[(4-chlorophenyl)methyl-cyclopropylamino]acetyl]-methylamino]acetamide
SMILESCN(CC(=O)NC(C)(C)C)C(=O)CN(Cc1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C19H28ClN3O2/c1-19(2,3)21-17(24)12-22(4)18(25)13-23(16-9-10-16)11-14-5-7-15(20)8-6-14/h5-8,16H,9-13H2,1-4H3,(H,21,24)
InChIKeyWWJJLSMWDVPREU-UHFFFAOYSA-N
XLogP2.68
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.91
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-chlorophenyl)methyl-cyclopropylamino]-N-(3-methylbutan-2-yl)acetamide
CID 60502680
2-[[2-[cyclopropyl-[(4-ethylphenyl)methyl]amino]acetyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 55682363
2-[(4-chlorophenyl)methyl-cyclopropylamino]-N-(4-methylphenyl)acetamide
CID 60514622
2-[[2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]acetyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 8905627
N-tert-butyl-2-[[2-[1-(2,4-dichlorophenyl)ethyl-methylamino]acetyl]-methylamino]acetamide
CID 55568921
[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]-[(1R)-1-(4-chlorophenyl)ethyl]azanium
CID 8636937
N-(4-chlorophenyl)-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]acetamide
CID 8770105
N-tert-butyl-2-[[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-methylamino]acetamide
CID 8768593
2-[(4-aminophenyl)methyl-cyclopropylamino]-N,N-dimethylacetamide
CID 43384089
[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate
CID 55643963
2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 87014260
N-[2-(tert-butylamino)-2-oxoethyl]-2,5-dichloro-N-methylbenzamide
CID 17395441

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[[2-[(4-chlorophenyl)methyl-cyclopropylamino]acetyl]-methylamino]acetamide?
The IUPAC name of N-tert-butyl-2-[[2-[(4-chlorophenyl)methyl-cyclopropylamino]acetyl]-methylamino]acetamide (CID 55828636) is N-tert-butyl-2-[[2-[(4-chlorophenyl)methyl-cyclopropylamino]acetyl]-methylamino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[[2-[(4-chlorophenyl)methyl-cyclopropylamino]acetyl]-methylamino]acetamide?
The canonical SMILES for N-tert-butyl-2-[[2-[(4-chlorophenyl)methyl-cyclopropylamino]acetyl]-methylamino]acetamide is CN(CC(=O)NC(C)(C)C)C(=O)CN(Cc1ccc(Cl)cc1)C1CC1.
What is the InChIKey of N-tert-butyl-2-[[2-[(4-chlorophenyl)methyl-cyclopropylamino]acetyl]-methylamino]acetamide?
The InChIKey is WWJJLSMWDVPREU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28ClN3O2/c1-19(2,3)21-17(24)12-22(4)18(25)13-23(16-9-10-16)11-14-5-7-15(20)8-6-14/h5-8,16H,9-13H2,1-4H3,(H,21,24).
What are the key properties of N-tert-butyl-2-[[2-[(4-chlorophenyl)methyl-cyclopropylamino]acetyl]-methylamino]acetamide?
N-tert-butyl-2-[[2-[(4-chlorophenyl)methyl-cyclopropylamino]acetyl]-methylamino]acetamide has a molecular weight of 365.91 g/mol, XLogP of 2.68, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[[2-[(4-chlorophenyl)methyl-cyclopropylamino]acetyl]-methylamino]acetamide is sourced from PubChem (CID 55828636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).