2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide

C20H25ClN2O4 — CID 8599507

IUPAC2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
SMILESCOc1cc(CNC(=O)CN[C@@H](C)c2cccc(Cl)c2)cc(OC)c1OC
InChIInChI=1S/C20H25ClN2O4/c1-13(15-6-5-7-16(21)10-15)22-12-19(24)23-11-14-8-17(25-2)20(27-4)18(9-14)26-3/h5-10,13,22H,11-12H2,1-4H3,(H,23,24)/t13-/m0/s1
InChIKeyLGPFWXBCBUFSDC-ZDUSSCGKSA-N
MW392.88 g/mol
LogP3.33
Rot. Bonds9

About 2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide

2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide (PubChem CID 8599507) has the molecular formula C20H25ClN2O4 and a molecular weight of 392.88 g/mol. Its IUPAC name is 2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
PubChem CID8599507
Molecular FormulaC20H25ClN2O4
Molecular Weight392.88 g/mol
Exact Mass392.15
IUPAC Name2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
SMILESCOc1cc(CNC(=O)CN[C@@H](C)c2cccc(Cl)c2)cc(OC)c1OC
InChIInChI=1S/C20H25ClN2O4/c1-13(15-6-5-7-16(21)10-15)22-12-19(24)23-11-14-8-17(25-2)20(27-4)18(9-14)26-3/h5-10,13,22H,11-12H2,1-4H3,(H,23,24)/t13-/m0/s1
InChIKeyLGPFWXBCBUFSDC-ZDUSSCGKSA-N
XLogP3.33
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.88
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide with MolForge

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Related Compounds

2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 9307734
2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-[(4-chlorophenyl)methyl]acetamide
CID 9307726
2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
CID 8599451
N-[(3-chlorophenyl)methyl]-2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]acetamide
CID 9377009
(2R)-2-(3-chlorophenoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide
CID 41261490
1-(3-chlorophenyl)-N-[(3,5-dimethoxyphenyl)methyl]ethanamine
CID 43078961
N-(5-acetamido-2-methoxyphenyl)-2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]acetamide
CID 8599537
2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-N-(3-methoxyphenyl)acetamide
CID 9307739
2-[1-(3-chlorophenyl)ethylamino]-N-(2-cyanoethyl)acetamide
CID 60694877
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]acetamide
CID 9307603
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]acetamide
CID 9307609
2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 9335503

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide?
The IUPAC name of 2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide (CID 8599507) is 2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide is COc1cc(CNC(=O)CN[C@@H](C)c2cccc(Cl)c2)cc(OC)c1OC.
What is the InChIKey of 2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide?
The InChIKey is LGPFWXBCBUFSDC-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H25ClN2O4/c1-13(15-6-5-7-16(21)10-15)22-12-19(24)23-11-14-8-17(25-2)20(27-4)18(9-14)26-3/h5-10,13,22H,11-12H2,1-4H3,(H,23,24)/t13-/m0/s1.
What are the key properties of 2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide?
2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide has a molecular weight of 392.88 g/mol, XLogP of 3.33, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide is sourced from PubChem (CID 8599507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).