2-[5-chloro-2-(ethylaminomethyl)-N-(2-methylpropyl)anilino]acetamide

C15H24ClN3O — CID 114850135

IUPAC2-[5-chloro-2-(ethylaminomethyl)-N-(2-methylpropyl)anilino]acetamide
SMILESCCNCc1ccc(Cl)cc1N(CC(N)=O)CC(C)C
InChIInChI=1S/C15H24ClN3O/c1-4-18-8-12-5-6-13(16)7-14(12)19(9-11(2)3)10-15(17)20/h5-7,11,18H,4,8-10H2,1-3H3,(H2,17,20)
InChIKeyCMZPCSOCHIYADI-UHFFFAOYSA-N
MW297.83 g/mol
LogP2.40
Rot. Bonds8

About 2-[5-chloro-2-(ethylaminomethyl)-N-(2-methylpropyl)anilino]acetamide

2-[5-chloro-2-(ethylaminomethyl)-N-(2-methylpropyl)anilino]acetamide (PubChem CID 114850135) has the molecular formula C15H24ClN3O and a molecular weight of 297.83 g/mol. Its IUPAC name is 2-[5-chloro-2-(ethylaminomethyl)-N-(2-methylpropyl)anilino]acetamide.

Molecular Properties

Compound Name2-[5-chloro-2-(ethylaminomethyl)-N-(2-methylpropyl)anilino]acetamide
PubChem CID114850135
Molecular FormulaC15H24ClN3O
Molecular Weight297.83 g/mol
Exact Mass297.16
IUPAC Name2-[5-chloro-2-(ethylaminomethyl)-N-(2-methylpropyl)anilino]acetamide
SMILESCCNCc1ccc(Cl)cc1N(CC(N)=O)CC(C)C
InChIInChI=1S/C15H24ClN3O/c1-4-18-8-12-5-6-13(16)7-14(12)19(9-11(2)3)10-15(17)20/h5-7,11,18H,4,8-10H2,1-3H3,(H2,17,20)
InChIKeyCMZPCSOCHIYADI-UHFFFAOYSA-N
XLogP2.40
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-amino-2-oxoethyl)-(2-methylpropyl)amino]-5-chlorobenzoic acid
CID 55009627
5-chloro-N-ethyl-2-(ethylaminomethyl)-N-(2-methylbutyl)aniline
CID 114852451
2-N-[5-chloro-2-(ethylaminomethyl)phenyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103190004
5-chloro-2-(chloromethyl)-N,N-bis(2-methylpropyl)aniline
CID 114846444
2-[2-chloro-N-(2-methylpropyl)-4-[(propan-2-ylamino)methyl]anilino]acetamide
CID 81144344
3-[5-chloro-2-methyl-N-(2-methylpropyl)anilino]propanoic acid
CID 82319242
2-[4-chloro-2-(ethylaminomethyl)-N-methylanilino]-N-propan-2-ylacetamide
CID 114850041
5-chloro-2-(ethylaminomethyl)-N-(2-methoxyethyl)-N-propan-2-ylaniline
CID 114853034
2-[2-(aminomethyl)-5-chloro-N-ethylanilino]-N-propan-2-ylacetamide
CID 63081108
2-[4-chloro-N-methyl-2-[(2-methylpropylamino)methyl]anilino]-N-ethylacetamide
CID 114849464
2-[N-butyl-4-(ethylaminomethyl)-3-methylanilino]acetamide
CID 62128442
5-chloro-N-(2-methoxyethyl)-N-(2-methylpropyl)-2-[(propan-2-ylamino)methyl]aniline
CID 114849511

Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-2-(ethylaminomethyl)-N-(2-methylpropyl)anilino]acetamide?
The IUPAC name of 2-[5-chloro-2-(ethylaminomethyl)-N-(2-methylpropyl)anilino]acetamide (CID 114850135) is 2-[5-chloro-2-(ethylaminomethyl)-N-(2-methylpropyl)anilino]acetamide.
What is the SMILES notation for 2-[5-chloro-2-(ethylaminomethyl)-N-(2-methylpropyl)anilino]acetamide?
The canonical SMILES for 2-[5-chloro-2-(ethylaminomethyl)-N-(2-methylpropyl)anilino]acetamide is CCNCc1ccc(Cl)cc1N(CC(N)=O)CC(C)C.
What is the InChIKey of 2-[5-chloro-2-(ethylaminomethyl)-N-(2-methylpropyl)anilino]acetamide?
The InChIKey is CMZPCSOCHIYADI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3O/c1-4-18-8-12-5-6-13(16)7-14(12)19(9-11(2)3)10-15(17)20/h5-7,11,18H,4,8-10H2,1-3H3,(H2,17,20).
What are the key properties of 2-[5-chloro-2-(ethylaminomethyl)-N-(2-methylpropyl)anilino]acetamide?
2-[5-chloro-2-(ethylaminomethyl)-N-(2-methylpropyl)anilino]acetamide has a molecular weight of 297.83 g/mol, XLogP of 2.40, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-2-(ethylaminomethyl)-N-(2-methylpropyl)anilino]acetamide is sourced from PubChem (CID 114850135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).