2-[[2-[(4-chlorophenyl)methyl-methylamino]acetyl]amino]-N-ethylacetamide

C14H20ClN3O2 — CID 8540987

IUPAC2-[[2-[(4-chlorophenyl)methyl-methylamino]acetyl]amino]-N-ethylacetamide
SMILESCCNC(=O)CNC(=O)CN(C)Cc1ccc(Cl)cc1
InChIInChI=1S/C14H20ClN3O2/c1-3-16-13(19)8-17-14(20)10-18(2)9-11-4-6-12(15)7-5-11/h4-7H,3,8-10H2,1-2H3,(H,16,19)(H,17,20)
InChIKeyMTTHTPCONOPIBZ-UHFFFAOYSA-N
MW297.79 g/mol
LogP1.02
Rot. Bonds7

About 2-[[2-[(4-chlorophenyl)methyl-methylamino]acetyl]amino]-N-ethylacetamide

2-[[2-[(4-chlorophenyl)methyl-methylamino]acetyl]amino]-N-ethylacetamide (PubChem CID 8540987) has the molecular formula C14H20ClN3O2 and a molecular weight of 297.79 g/mol. Its IUPAC name is 2-[[2-[(4-chlorophenyl)methyl-methylamino]acetyl]amino]-N-ethylacetamide.

Molecular Properties

Compound Name2-[[2-[(4-chlorophenyl)methyl-methylamino]acetyl]amino]-N-ethylacetamide
PubChem CID8540987
Molecular FormulaC14H20ClN3O2
Molecular Weight297.79 g/mol
Exact Mass297.12
IUPAC Name2-[[2-[(4-chlorophenyl)methyl-methylamino]acetyl]amino]-N-ethylacetamide
SMILESCCNC(=O)CNC(=O)CN(C)Cc1ccc(Cl)cc1
InChIInChI=1S/C14H20ClN3O2/c1-3-16-13(19)8-17-14(20)10-18(2)9-11-4-6-12(15)7-5-11/h4-7H,3,8-10H2,1-2H3,(H,16,19)(H,17,20)
InChIKeyMTTHTPCONOPIBZ-UHFFFAOYSA-N
XLogP1.02
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-chlorophenyl)methyl-methylamino]-N-[[4-(ethoxymethyl)phenyl]methyl]acetamide
CID 87013292
N'-acetyl-2-[(4-chlorophenyl)methyl-methylamino]acetohydrazide
CID 8540470
2-[(4-chlorophenyl)methyl-methylamino]-N-propan-2-ylacetamide
CID 78787978
2-[(2-amino-5-chlorophenyl)methyl-methylamino]-N-ethylacetamide
CID 79582319
2-[[3-(aminomethyl)-4-fluorophenyl]methyl-methylamino]-N-ethylacetamide
CID 114011952
2-[(3,5-difluoro-4-hydroxyphenyl)methyl-methylamino]-N-ethylacetamide
CID 82978666
2-[[2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-propylacetamide
CID 8816242
2-[(4-chlorophenyl)methyl-methylamino]-N-(2-thiophen-2-ylethyl)acetamide
CID 8540690
2-[[2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 9198919
2-[(4-chlorophenyl)methyl-methylamino]-N-(3,5-dimethylphenyl)acetamide
CID 2657408
methyl 4-[[2-[(4-chlorophenyl)methyl-methylamino]acetyl]amino]benzoate
CID 9041063
N-(3-chlorophenyl)-2-[(4-chlorophenyl)methyl-methylamino]acetamide
CID 9041038

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(4-chlorophenyl)methyl-methylamino]acetyl]amino]-N-ethylacetamide?
The IUPAC name of 2-[[2-[(4-chlorophenyl)methyl-methylamino]acetyl]amino]-N-ethylacetamide (CID 8540987) is 2-[[2-[(4-chlorophenyl)methyl-methylamino]acetyl]amino]-N-ethylacetamide.
What is the SMILES notation for 2-[[2-[(4-chlorophenyl)methyl-methylamino]acetyl]amino]-N-ethylacetamide?
The canonical SMILES for 2-[[2-[(4-chlorophenyl)methyl-methylamino]acetyl]amino]-N-ethylacetamide is CCNC(=O)CNC(=O)CN(C)Cc1ccc(Cl)cc1.
What is the InChIKey of 2-[[2-[(4-chlorophenyl)methyl-methylamino]acetyl]amino]-N-ethylacetamide?
The InChIKey is MTTHTPCONOPIBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O2/c1-3-16-13(19)8-17-14(20)10-18(2)9-11-4-6-12(15)7-5-11/h4-7H,3,8-10H2,1-2H3,(H,16,19)(H,17,20).
What are the key properties of 2-[[2-[(4-chlorophenyl)methyl-methylamino]acetyl]amino]-N-ethylacetamide?
2-[[2-[(4-chlorophenyl)methyl-methylamino]acetyl]amino]-N-ethylacetamide has a molecular weight of 297.79 g/mol, XLogP of 1.02, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(4-chlorophenyl)methyl-methylamino]acetyl]amino]-N-ethylacetamide is sourced from PubChem (CID 8540987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).