2-[[2-[(3-chlorophenyl)methyl-propan-2-ylamino]acetyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide

C22H28ClN3O3 — CID 60512989

IUPAC2-[[2-[(3-chlorophenyl)methyl-propan-2-ylamino]acetyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide
SMILESCOc1ccc(C)cc1NC(=O)CNC(=O)CN(Cc1cccc(Cl)c1)C(C)C
InChIInChI=1S/C22H28ClN3O3/c1-15(2)26(13-17-6-5-7-18(23)11-17)14-22(28)24-12-21(27)25-19-10-16(3)8-9-20(19)29-4/h5-11,15H,12-14H2,1-4H3,(H,24,28)(H,25,27)
InChIKeyFYXGBRDAONHGBC-UHFFFAOYSA-N
MW417.94 g/mol
LogP3.62
Rot. Bonds9

About 2-[[2-[(3-chlorophenyl)methyl-propan-2-ylamino]acetyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide

2-[[2-[(3-chlorophenyl)methyl-propan-2-ylamino]acetyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide (PubChem CID 60512989) has the molecular formula C22H28ClN3O3 and a molecular weight of 417.94 g/mol. Its IUPAC name is 2-[[2-[(3-chlorophenyl)methyl-propan-2-ylamino]acetyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[[2-[(3-chlorophenyl)methyl-propan-2-ylamino]acetyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide
PubChem CID60512989
Molecular FormulaC22H28ClN3O3
Molecular Weight417.94 g/mol
Exact Mass417.18
IUPAC Name2-[[2-[(3-chlorophenyl)methyl-propan-2-ylamino]acetyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide
SMILESCOc1ccc(C)cc1NC(=O)CNC(=O)CN(Cc1cccc(Cl)c1)C(C)C
InChIInChI=1S/C22H28ClN3O3/c1-15(2)26(13-17-6-5-7-18(23)11-17)14-22(28)24-12-21(27)25-19-10-16(3)8-9-20(19)29-4/h5-11,15H,12-14H2,1-4H3,(H,24,28)(H,25,27)
InChIKeyFYXGBRDAONHGBC-UHFFFAOYSA-N
XLogP3.62
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.94
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-2-phenylacetamide
CID 9413480
2-[benzyl(propan-2-yl)amino]-N-(4-chloro-2,5-dimethoxyphenyl)acetamide
CID 24582098
2-[(3-chlorophenyl)methyl-propan-2-ylamino]-N-[[2-(methoxymethyl)phenyl]methyl]acetamide
CID 60512946
2-[[2-(3-fluoro-4-methoxy-N-propan-2-ylanilino)acetyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 51133219
2-[[2-[4-(3-chlorophenyl)piperazin-1-yl]acetyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 27156862
2-(4-chloro-2-methylanilino)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]acetamide
CID 26507206
N-(2-methoxy-5-methylphenyl)-2-[(3-methoxyphenyl)methyl-methylamino]acetamide
CID 8002693
2-[[2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]acetyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 16620475
2-[(3-chlorophenyl)methyl-methylamino]-N-(2-methoxyphenyl)acetamide
CID 9251272
2-[(2,4-dichlorophenyl)carbamoylamino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 47032016
ethyl 2-[(3-chlorophenyl)methyl-propan-2-ylamino]acetate
CID 60775299
3-(3-fluorophenyl)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]propanamide
CID 43052444

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(3-chlorophenyl)methyl-propan-2-ylamino]acetyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide?
The IUPAC name of 2-[[2-[(3-chlorophenyl)methyl-propan-2-ylamino]acetyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide (CID 60512989) is 2-[[2-[(3-chlorophenyl)methyl-propan-2-ylamino]acetyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide.
What is the SMILES notation for 2-[[2-[(3-chlorophenyl)methyl-propan-2-ylamino]acetyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide?
The canonical SMILES for 2-[[2-[(3-chlorophenyl)methyl-propan-2-ylamino]acetyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide is COc1ccc(C)cc1NC(=O)CNC(=O)CN(Cc1cccc(Cl)c1)C(C)C.
What is the InChIKey of 2-[[2-[(3-chlorophenyl)methyl-propan-2-ylamino]acetyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide?
The InChIKey is FYXGBRDAONHGBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28ClN3O3/c1-15(2)26(13-17-6-5-7-18(23)11-17)14-22(28)24-12-21(27)25-19-10-16(3)8-9-20(19)29-4/h5-11,15H,12-14H2,1-4H3,(H,24,28)(H,25,27).
What are the key properties of 2-[[2-[(3-chlorophenyl)methyl-propan-2-ylamino]acetyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide?
2-[[2-[(3-chlorophenyl)methyl-propan-2-ylamino]acetyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide has a molecular weight of 417.94 g/mol, XLogP of 3.62, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(3-chlorophenyl)methyl-propan-2-ylamino]acetyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide is sourced from PubChem (CID 60512989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).