2-[4-(2-aminoethoxy)-3-chlorophenyl]-N-[(4-tert-butylphenyl)methyl]acetamide

C21H27ClN2O2 — CID 66552642

IUPAC2-[4-(2-aminoethoxy)-3-chlorophenyl]-N-[(4-tert-butylphenyl)methyl]acetamide
SMILESCC(C)(C)c1ccc(CNC(=O)Cc2ccc(OCCN)c(Cl)c2)cc1
InChIInChI=1S/C21H27ClN2O2/c1-21(2,3)17-7-4-15(5-8-17)14-24-20(25)13-16-6-9-19(18(22)12-16)26-11-10-23/h4-9,12H,10-11,13-14,23H2,1-3H3,(H,24,25)
InChIKeyNODMHWDONNZCSI-UHFFFAOYSA-N
MW374.91 g/mol
LogP3.83
Rot. Bonds7

About 2-[4-(2-aminoethoxy)-3-chlorophenyl]-N-[(4-tert-butylphenyl)methyl]acetamide

2-[4-(2-aminoethoxy)-3-chlorophenyl]-N-[(4-tert-butylphenyl)methyl]acetamide (PubChem CID 66552642) has the molecular formula C21H27ClN2O2 and a molecular weight of 374.91 g/mol. Its IUPAC name is 2-[4-(2-aminoethoxy)-3-chlorophenyl]-N-[(4-tert-butylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[4-(2-aminoethoxy)-3-chlorophenyl]-N-[(4-tert-butylphenyl)methyl]acetamide
PubChem CID66552642
Molecular FormulaC21H27ClN2O2
Molecular Weight374.91 g/mol
Exact Mass374.18
IUPAC Name2-[4-(2-aminoethoxy)-3-chlorophenyl]-N-[(4-tert-butylphenyl)methyl]acetamide
SMILESCC(C)(C)c1ccc(CNC(=O)Cc2ccc(OCCN)c(Cl)c2)cc1
InChIInChI=1S/C21H27ClN2O2/c1-21(2,3)17-7-4-15(5-8-17)14-24-20(25)13-16-6-9-19(18(22)12-16)26-11-10-23/h4-9,12H,10-11,13-14,23H2,1-3H3,(H,24,25)
InChIKeyNODMHWDONNZCSI-UHFFFAOYSA-N
XLogP3.83
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.91
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[4-(2-aminoethoxy)-3-chlorophenyl]acetate
CID 69211137
N-(2-aminoethyl)-2-(3-chloro-4-ethoxyphenyl)acetamide
CID 95464919
3-amino-N-[(3-chloro-4-ethoxyphenyl)methyl]propanamide
CID 98784594
N-[(4-tert-butylphenyl)methyl]-3-(3,4-dichlorophenyl)propanamide
CID 68937415
N-[(4-tert-butylphenyl)methyl]-2-naphthalen-2-ylacetamide
CID 68703244
N-[(3-chloro-4-ethoxyphenyl)methyl]-2-hydroxyacetamide
CID 115139828
N-(2-aminoethyl)-2-(3-chloro-4-propan-2-yloxyphenyl)acetamide
CID 95474116
N-[(4-chlorophenyl)methyl]-2-(3-fluoro-4-methoxyphenyl)acetamide
CID 9042461
4-amino-N-[(3-chloro-4-methoxyphenyl)methyl]butanamide;hydrochloride
CID 119337512
3-[4-[(tert-butylamino)methyl]-2-chlorophenoxy]-N-methylpropanamide
CID 63058039
N-[(4-tert-butylphenyl)methyl]-2-hydroxyacetamide
CID 69343221
2-(3-chloro-4-methoxyphenyl)-N-(2-methoxyethyl)acetamide
CID 110767026

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-aminoethoxy)-3-chlorophenyl]-N-[(4-tert-butylphenyl)methyl]acetamide?
The IUPAC name of 2-[4-(2-aminoethoxy)-3-chlorophenyl]-N-[(4-tert-butylphenyl)methyl]acetamide (CID 66552642) is 2-[4-(2-aminoethoxy)-3-chlorophenyl]-N-[(4-tert-butylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[4-(2-aminoethoxy)-3-chlorophenyl]-N-[(4-tert-butylphenyl)methyl]acetamide?
The canonical SMILES for 2-[4-(2-aminoethoxy)-3-chlorophenyl]-N-[(4-tert-butylphenyl)methyl]acetamide is CC(C)(C)c1ccc(CNC(=O)Cc2ccc(OCCN)c(Cl)c2)cc1.
What is the InChIKey of 2-[4-(2-aminoethoxy)-3-chlorophenyl]-N-[(4-tert-butylphenyl)methyl]acetamide?
The InChIKey is NODMHWDONNZCSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27ClN2O2/c1-21(2,3)17-7-4-15(5-8-17)14-24-20(25)13-16-6-9-19(18(22)12-16)26-11-10-23/h4-9,12H,10-11,13-14,23H2,1-3H3,(H,24,25).
What are the key properties of 2-[4-(2-aminoethoxy)-3-chlorophenyl]-N-[(4-tert-butylphenyl)methyl]acetamide?
2-[4-(2-aminoethoxy)-3-chlorophenyl]-N-[(4-tert-butylphenyl)methyl]acetamide has a molecular weight of 374.91 g/mol, XLogP of 3.83, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-aminoethoxy)-3-chlorophenyl]-N-[(4-tert-butylphenyl)methyl]acetamide is sourced from PubChem (CID 66552642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).