N-[1-(4-chlorophenyl)-2-methylpropyl]-2-(ethylamino)acetamide

C14H21ClN2O — CID 60718649

IUPACN-[1-(4-chlorophenyl)-2-methylpropyl]-2-(ethylamino)acetamide
SMILESCCNCC(=O)NC(c1ccc(Cl)cc1)C(C)C
InChIInChI=1S/C14H21ClN2O/c1-4-16-9-13(18)17-14(10(2)3)11-5-7-12(15)8-6-11/h5-8,10,14,16H,4,9H2,1-3H3,(H,17,18)
InChIKeySFXIBEVBOUUORP-UHFFFAOYSA-N
MW268.79 g/mol
LogP2.76
Rot. Bonds6

About N-[1-(4-chlorophenyl)-2-methylpropyl]-2-(ethylamino)acetamide

N-[1-(4-chlorophenyl)-2-methylpropyl]-2-(ethylamino)acetamide (PubChem CID 60718649) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)-2-methylpropyl]-2-(ethylamino)acetamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)-2-methylpropyl]-2-(ethylamino)acetamide
PubChem CID60718649
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC NameN-[1-(4-chlorophenyl)-2-methylpropyl]-2-(ethylamino)acetamide
SMILESCCNCC(=O)NC(c1ccc(Cl)cc1)C(C)C
InChIInChI=1S/C14H21ClN2O/c1-4-16-9-13(18)17-14(10(2)3)11-5-7-12(15)8-6-11/h5-8,10,14,16H,4,9H2,1-3H3,(H,17,18)
InChIKeySFXIBEVBOUUORP-UHFFFAOYSA-N
XLogP2.76
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(butan-2-ylamino)-N-[1-(4-chlorophenyl)-2-methylpropyl]acetamide
CID 60719784
2-amino-N-[1-(4-chlorophenyl)-2-methylpropyl]-2-ethylbutanamide
CID 79810224
N-[1-(4-chlorophenyl)ethyl]-2-(propylamino)acetamide
CID 60648459
2-amino-N-[1-(4-chlorophenyl)-2-methylpropyl]-3-methylpentanamide
CID 43704019
N-[1-(4-chlorophenyl)-2-methylpropyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide
CID 18140277
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(4-chlorophenyl)-2-methylpropyl]acetamide;hydrochloride
CID 119699940
N-[1-(4-fluorophenyl)-2-methylpropyl]propanamide
CID 60666381
N-[2-[[1-(4-chlorophenyl)-2-methylpropyl]carbamoylamino]ethyl]-2-methylpropanamide
CID 46486322
2-acetamido-N-[2-[[2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]-2-oxoethyl]acetamide
CID 60559744
4-amino-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]butanamide;hydrochloride
CID 119272369
4-amino-N-[1-(4-chlorophenyl)-2-methylpropyl]benzamide
CID 43704007
N-[1-(4-chlorophenyl)-2-methylpropyl]-4-[2-oxo-2-(propylamino)ethyl]piperazine-1-carboxamide
CID 24612951

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)-2-methylpropyl]-2-(ethylamino)acetamide?
The IUPAC name of N-[1-(4-chlorophenyl)-2-methylpropyl]-2-(ethylamino)acetamide (CID 60718649) is N-[1-(4-chlorophenyl)-2-methylpropyl]-2-(ethylamino)acetamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)-2-methylpropyl]-2-(ethylamino)acetamide?
The canonical SMILES for N-[1-(4-chlorophenyl)-2-methylpropyl]-2-(ethylamino)acetamide is CCNCC(=O)NC(c1ccc(Cl)cc1)C(C)C.
What is the InChIKey of N-[1-(4-chlorophenyl)-2-methylpropyl]-2-(ethylamino)acetamide?
The InChIKey is SFXIBEVBOUUORP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-4-16-9-13(18)17-14(10(2)3)11-5-7-12(15)8-6-11/h5-8,10,14,16H,4,9H2,1-3H3,(H,17,18).
What are the key properties of N-[1-(4-chlorophenyl)-2-methylpropyl]-2-(ethylamino)acetamide?
N-[1-(4-chlorophenyl)-2-methylpropyl]-2-(ethylamino)acetamide has a molecular weight of 268.79 g/mol, XLogP of 2.76, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)-2-methylpropyl]-2-(ethylamino)acetamide is sourced from PubChem (CID 60718649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).