N-(5-chloro-2-methylphenyl)-2-[(2,2,3,3-tetramethylcyclopropyl)methylamino]acetamide

C17H25ClN2O — CID 79352093

IUPACN-(5-chloro-2-methylphenyl)-2-[(2,2,3,3-tetramethylcyclopropyl)methylamino]acetamide
SMILESCc1ccc(Cl)cc1NC(=O)CNCC1C(C)(C)C1(C)C
InChIInChI=1S/C17H25ClN2O/c1-11-6-7-12(18)8-13(11)20-15(21)10-19-9-14-16(2,3)17(14,4)5/h6-8,14,19H,9-10H2,1-5H3,(H,20,21)
InChIKeyRNWKVGPWUKMDHT-UHFFFAOYSA-N
MW308.85 g/mol
LogP3.86
Rot. Bonds5

About N-(5-chloro-2-methylphenyl)-2-[(2,2,3,3-tetramethylcyclopropyl)methylamino]acetamide

N-(5-chloro-2-methylphenyl)-2-[(2,2,3,3-tetramethylcyclopropyl)methylamino]acetamide (PubChem CID 79352093) has the molecular formula C17H25ClN2O and a molecular weight of 308.85 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-2-[(2,2,3,3-tetramethylcyclopropyl)methylamino]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-2-[(2,2,3,3-tetramethylcyclopropyl)methylamino]acetamide
PubChem CID79352093
Molecular FormulaC17H25ClN2O
Molecular Weight308.85 g/mol
Exact Mass308.17
IUPAC NameN-(5-chloro-2-methylphenyl)-2-[(2,2,3,3-tetramethylcyclopropyl)methylamino]acetamide
SMILESCc1ccc(Cl)cc1NC(=O)CNCC1C(C)(C)C1(C)C
InChIInChI=1S/C17H25ClN2O/c1-11-6-7-12(18)8-13(11)20-15(21)10-19-9-14-16(2,3)17(14,4)5/h6-8,14,19H,9-10H2,1-5H3,(H,20,21)
InChIKeyRNWKVGPWUKMDHT-UHFFFAOYSA-N
XLogP3.86
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.85
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 1340673
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N-(5-chloro-2-methylphenyl)-2-[(3-hydroxycyclopentyl)methylamino]acetamide
CID 106129889
N-(5-chloro-2-methylphenyl)-2-(2,2-dimethylpropylamino)acetamide
CID 61165845
N-(5-chloro-2-methylphenyl)-2-(2-chloroprop-2-enylamino)acetamide
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CID 43405018
N-(5-chloro-2-methylphenyl)-2-[(2-hydroxy-2-methylpropyl)amino]acetamide
CID 65106525
N-(5-chloro-2-methylphenyl)-2-(5-methylhexylamino)acetamide
CID 115325803
N-(5-chloro-2-methylphenyl)-2-(hex-5-ynylamino)acetamide
CID 106211851
N-(5-chloro-2-methylphenyl)-2-(cyclopropylamino)acetamide
CID 43405290
3-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]amino]-N-ethylpropanamide
CID 115745425
2-(4-chloro-2-methylanilino)-N-(5-chloro-2-methylphenyl)acetamide
CID 26507073

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-2-[(2,2,3,3-tetramethylcyclopropyl)methylamino]acetamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-2-[(2,2,3,3-tetramethylcyclopropyl)methylamino]acetamide (CID 79352093) is N-(5-chloro-2-methylphenyl)-2-[(2,2,3,3-tetramethylcyclopropyl)methylamino]acetamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-2-[(2,2,3,3-tetramethylcyclopropyl)methylamino]acetamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-2-[(2,2,3,3-tetramethylcyclopropyl)methylamino]acetamide is Cc1ccc(Cl)cc1NC(=O)CNCC1C(C)(C)C1(C)C.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-2-[(2,2,3,3-tetramethylcyclopropyl)methylamino]acetamide?
The InChIKey is RNWKVGPWUKMDHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O/c1-11-6-7-12(18)8-13(11)20-15(21)10-19-9-14-16(2,3)17(14,4)5/h6-8,14,19H,9-10H2,1-5H3,(H,20,21).
What are the key properties of N-(5-chloro-2-methylphenyl)-2-[(2,2,3,3-tetramethylcyclopropyl)methylamino]acetamide?
N-(5-chloro-2-methylphenyl)-2-[(2,2,3,3-tetramethylcyclopropyl)methylamino]acetamide has a molecular weight of 308.85 g/mol, XLogP of 3.86, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-2-[(2,2,3,3-tetramethylcyclopropyl)methylamino]acetamide is sourced from PubChem (CID 79352093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).