N-[2-(4-chlorophenyl)ethyl]-N-methyl-2-(propan-2-ylamino)acetamide

C14H21ClN2O — CID 115158336

IUPACN-[2-(4-chlorophenyl)ethyl]-N-methyl-2-(propan-2-ylamino)acetamide
SMILESCC(C)NCC(=O)N(C)CCc1ccc(Cl)cc1
InChIInChI=1S/C14H21ClN2O/c1-11(2)16-10-14(18)17(3)9-8-12-4-6-13(15)7-5-12/h4-7,11,16H,8-10H2,1-3H3
InChIKeyWVPNCZSRAFEUGF-UHFFFAOYSA-N
MW268.79 g/mol
LogP2.34
Rot. Bonds6

About N-[2-(4-chlorophenyl)ethyl]-N-methyl-2-(propan-2-ylamino)acetamide

N-[2-(4-chlorophenyl)ethyl]-N-methyl-2-(propan-2-ylamino)acetamide (PubChem CID 115158336) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-N-methyl-2-(propan-2-ylamino)acetamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-N-methyl-2-(propan-2-ylamino)acetamide
PubChem CID115158336
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-N-methyl-2-(propan-2-ylamino)acetamide
SMILESCC(C)NCC(=O)N(C)CCc1ccc(Cl)cc1
InChIInChI=1S/C14H21ClN2O/c1-11(2)16-10-14(18)17(3)9-8-12-4-6-13(15)7-5-12/h4-7,11,16H,8-10H2,1-3H3
InChIKeyWVPNCZSRAFEUGF-UHFFFAOYSA-N
XLogP2.34
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-bromophenyl)ethyl]-N-methyl-2-(propan-2-ylamino)acetamide
CID 115158337
N-[2-(4-fluorophenyl)ethyl]-N-methyl-2-(propan-2-ylamino)acetamide
CID 115158335
N-[2-(2-fluorophenyl)ethyl]-N-methyl-2-(propan-2-ylamino)acetamide
CID 115158349
2-(4-chlorophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 110755605
2-[2-[methyl-[2-(propan-2-ylamino)acetyl]amino]ethyl]benzoic acid
CID 104548309
N-methyl-2-(propan-2-ylamino)-N-propylacetamide
CID 60843587
N-[2-(4-chlorophenyl)ethyl]-N-methyl-2-oxoacetamide
CID 115166656
N-[2-(4-chlorophenyl)ethyl]-N,2-dimethyl-2-(methylamino)propanamide
CID 115165826
3-[4-(4-chlorophenyl)butanoyl-methylamino]propanoic acid
CID 82224338
N-[(2-chlorophenyl)methyl]-N-methyl-2-(propan-2-ylamino)acetamide
CID 60683172
N-methyl-2-(2-methylpropylamino)-N-(2-pyridin-4-ylethyl)acetamide
CID 108993197
1-[bis[2-(4-chlorophenyl)ethyl]amino]propan-2-ol;ethane
CID 144747733

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-N-methyl-2-(propan-2-ylamino)acetamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-N-methyl-2-(propan-2-ylamino)acetamide (CID 115158336) is N-[2-(4-chlorophenyl)ethyl]-N-methyl-2-(propan-2-ylamino)acetamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-N-methyl-2-(propan-2-ylamino)acetamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-N-methyl-2-(propan-2-ylamino)acetamide is CC(C)NCC(=O)N(C)CCc1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-N-methyl-2-(propan-2-ylamino)acetamide?
The InChIKey is WVPNCZSRAFEUGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-11(2)16-10-14(18)17(3)9-8-12-4-6-13(15)7-5-12/h4-7,11,16H,8-10H2,1-3H3.
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-N-methyl-2-(propan-2-ylamino)acetamide?
N-[2-(4-chlorophenyl)ethyl]-N-methyl-2-(propan-2-ylamino)acetamide has a molecular weight of 268.79 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-N-methyl-2-(propan-2-ylamino)acetamide is sourced from PubChem (CID 115158336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).