N-[2-[[(Z)-3-chloro-2-methylprop-2-enyl]amino]ethyl]-4-methylbenzamide

C14H19ClN2O — CID 106437521

IUPACN-[2-[[(Z)-3-chloro-2-methylprop-2-enyl]amino]ethyl]-4-methylbenzamide
SMILESC/C(=C/Cl)CNCCNC(=O)c1ccc(C)cc1
InChIInChI=1S/C14H19ClN2O/c1-11-3-5-13(6-4-11)14(18)17-8-7-16-10-12(2)9-15/h3-6,9,16H,7-8,10H2,1-2H3,(H,17,18)/b12-9-
InChIKeyNQEZBUZBKBCSKK-XFXZXTDPSA-N
MW266.77 g/mol
LogP2.46
Rot. Bonds6

About N-[2-[[(Z)-3-chloro-2-methylprop-2-enyl]amino]ethyl]-4-methylbenzamide

N-[2-[[(Z)-3-chloro-2-methylprop-2-enyl]amino]ethyl]-4-methylbenzamide (PubChem CID 106437521) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is N-[2-[[(Z)-3-chloro-2-methylprop-2-enyl]amino]ethyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[2-[[(Z)-3-chloro-2-methylprop-2-enyl]amino]ethyl]-4-methylbenzamide
PubChem CID106437521
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC NameN-[2-[[(Z)-3-chloro-2-methylprop-2-enyl]amino]ethyl]-4-methylbenzamide
SMILESC/C(=C/Cl)CNCCNC(=O)c1ccc(C)cc1
InChIInChI=1S/C14H19ClN2O/c1-11-3-5-13(6-4-11)14(18)17-8-7-16-10-12(2)9-15/h3-6,9,16H,7-8,10H2,1-2H3,(H,17,18)/b12-9-
InChIKeyNQEZBUZBKBCSKK-XFXZXTDPSA-N
XLogP2.46
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-acetamidoethyl)-4-methylbenzamide
CID 4186573
4-methyl-N-[2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl]benzamide
CID 60965904
N-[2-[[2-(diethylamino)-2-oxoethyl]amino]ethyl]-4-methylbenzamide
CID 60966022
N-[2-[[2-(3,4-dimethylphenyl)-2-oxoethyl]amino]ethyl]-4-methylbenzamide
CID 170027016
N-[2-[[2-(tert-butylamino)-2-oxoethyl]amino]ethyl]-4-methylbenzamide
CID 60966159
4-methyl-N-[2-(methylamino)ethyl]benzamide
CID 59535801
N-[2-(butylamino)ethyl]-4-methylbenzamide
CID 54880787
4-methyl-N-[2-(3-oxobutanoylamino)ethyl]benzamide
CID 54880636
N-[2-(2-chloropropanoylamino)ethyl]-4-methylbenzamide
CID 54880790
methyl 3-[2-[(4-methylbenzoyl)amino]ethylamino]propanoate
CID 54880678
N-[2-(2-cyanoethylamino)ethyl]-4-methylbenzamide
CID 54880736
4-methyl-N-[2-[(5-methyl-2-pyridinyl)amino]ethyl]benzamide
CID 60965045

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(Z)-3-chloro-2-methylprop-2-enyl]amino]ethyl]-4-methylbenzamide?
The IUPAC name of N-[2-[[(Z)-3-chloro-2-methylprop-2-enyl]amino]ethyl]-4-methylbenzamide (CID 106437521) is N-[2-[[(Z)-3-chloro-2-methylprop-2-enyl]amino]ethyl]-4-methylbenzamide.
What is the SMILES notation for N-[2-[[(Z)-3-chloro-2-methylprop-2-enyl]amino]ethyl]-4-methylbenzamide?
The canonical SMILES for N-[2-[[(Z)-3-chloro-2-methylprop-2-enyl]amino]ethyl]-4-methylbenzamide is C/C(=C/Cl)CNCCNC(=O)c1ccc(C)cc1.
What is the InChIKey of N-[2-[[(Z)-3-chloro-2-methylprop-2-enyl]amino]ethyl]-4-methylbenzamide?
The InChIKey is NQEZBUZBKBCSKK-XFXZXTDPSA-N. The full InChI is InChI=1S/C14H19ClN2O/c1-11-3-5-13(6-4-11)14(18)17-8-7-16-10-12(2)9-15/h3-6,9,16H,7-8,10H2,1-2H3,(H,17,18)/b12-9-.
What are the key properties of N-[2-[[(Z)-3-chloro-2-methylprop-2-enyl]amino]ethyl]-4-methylbenzamide?
N-[2-[[(Z)-3-chloro-2-methylprop-2-enyl]amino]ethyl]-4-methylbenzamide has a molecular weight of 266.77 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(Z)-3-chloro-2-methylprop-2-enyl]amino]ethyl]-4-methylbenzamide is sourced from PubChem (CID 106437521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).