N-tert-butyl-2-[(3-chlorophenyl)methylamino]acetamide

C13H19ClN2O — CID 55024120

IUPACN-tert-butyl-2-[(3-chlorophenyl)methylamino]acetamide
SMILESCC(C)(C)NC(=O)CNCc1cccc(Cl)c1
InChIInChI=1S/C13H19ClN2O/c1-13(2,3)16-12(17)9-15-8-10-5-4-6-11(14)7-10/h4-7,15H,8-9H2,1-3H3,(H,16,17)
InChIKeyCTGBSDMSYNIFMP-UHFFFAOYSA-N
MW254.76 g/mol
LogP2.34
Rot. Bonds4

About N-tert-butyl-2-[(3-chlorophenyl)methylamino]acetamide

N-tert-butyl-2-[(3-chlorophenyl)methylamino]acetamide (PubChem CID 55024120) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is N-tert-butyl-2-[(3-chlorophenyl)methylamino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[(3-chlorophenyl)methylamino]acetamide
PubChem CID55024120
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC NameN-tert-butyl-2-[(3-chlorophenyl)methylamino]acetamide
SMILESCC(C)(C)NC(=O)CNCc1cccc(Cl)c1
InChIInChI=1S/C13H19ClN2O/c1-13(2,3)16-12(17)9-15-8-10-5-4-6-11(14)7-10/h4-7,15H,8-9H2,1-3H3,(H,16,17)
InChIKeyCTGBSDMSYNIFMP-UHFFFAOYSA-N
XLogP2.34
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-tert-butyl-2-[(5-chloro-2-fluorophenyl)methylamino]acetamide
CID 115761650
N-tert-butyl-3-[2-(3-chlorophenyl)ethylamino]propanamide
CID 109031314
methyl 3-[(3-chlorophenyl)methylamino]-2,2-dimethylpropanoate
CID 79623867
N-tert-butyl-2-[(3-chlorophenyl)methyl-ethylamino]acetamide
CID 78791266
2-(benzylamino)-N-[2-(3-chlorophenyl)ethyl]acetamide
CID 108996409
N-[2-[[2-(tert-butylamino)-2-oxoethyl]amino]-2-oxoethyl]-3-chlorobenzamide
CID 24637788
N-tert-butyl-2-[[2-[(3-chlorophenyl)methylsulfanyl]acetyl]-methylamino]acetamide
CID 31550674
N-[(3-chlorophenyl)methyl]propanamide
CID 17071125
N-tert-butyl-2-[(4-methylsulfanylphenyl)methylamino]acetamide
CID 47124680
2-(3-chlorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)acetamide
CID 62504626
N-[2-[(3-chlorophenyl)methylamino]ethyl]acetamide
CID 28710214
2-[[4-[(3-chlorophenyl)methoxy]phenyl]methylamino]-N-methylacetamide
CID 10639305

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(3-chlorophenyl)methylamino]acetamide?
The IUPAC name of N-tert-butyl-2-[(3-chlorophenyl)methylamino]acetamide (CID 55024120) is N-tert-butyl-2-[(3-chlorophenyl)methylamino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[(3-chlorophenyl)methylamino]acetamide?
The canonical SMILES for N-tert-butyl-2-[(3-chlorophenyl)methylamino]acetamide is CC(C)(C)NC(=O)CNCc1cccc(Cl)c1.
What is the InChIKey of N-tert-butyl-2-[(3-chlorophenyl)methylamino]acetamide?
The InChIKey is CTGBSDMSYNIFMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O/c1-13(2,3)16-12(17)9-15-8-10-5-4-6-11(14)7-10/h4-7,15H,8-9H2,1-3H3,(H,16,17).
What are the key properties of N-tert-butyl-2-[(3-chlorophenyl)methylamino]acetamide?
N-tert-butyl-2-[(3-chlorophenyl)methylamino]acetamide has a molecular weight of 254.76 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[(3-chlorophenyl)methylamino]acetamide is sourced from PubChem (CID 55024120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).