2-[(3-chlorophenyl)methyl-propan-2-ylamino]-N-[[2-(methoxymethyl)phenyl]methyl]acetamide

C21H27ClN2O2 — CID 60512946

IUPAC2-[(3-chlorophenyl)methyl-propan-2-ylamino]-N-[[2-(methoxymethyl)phenyl]methyl]acetamide
SMILESCOCc1ccccc1CNC(=O)CN(Cc1cccc(Cl)c1)C(C)C
InChIInChI=1S/C21H27ClN2O2/c1-16(2)24(13-17-7-6-10-20(22)11-17)14-21(25)23-12-18-8-4-5-9-19(18)15-26-3/h4-11,16H,12-15H2,1-3H3,(H,23,25)
InChIKeyYCMDSVPHUHKXRF-UHFFFAOYSA-N
MW374.91 g/mol
LogP4.01
Rot. Bonds9

About 2-[(3-chlorophenyl)methyl-propan-2-ylamino]-N-[[2-(methoxymethyl)phenyl]methyl]acetamide

2-[(3-chlorophenyl)methyl-propan-2-ylamino]-N-[[2-(methoxymethyl)phenyl]methyl]acetamide (PubChem CID 60512946) has the molecular formula C21H27ClN2O2 and a molecular weight of 374.91 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methyl-propan-2-ylamino]-N-[[2-(methoxymethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-[(3-chlorophenyl)methyl-propan-2-ylamino]-N-[[2-(methoxymethyl)phenyl]methyl]acetamide
PubChem CID60512946
Molecular FormulaC21H27ClN2O2
Molecular Weight374.91 g/mol
Exact Mass374.18
IUPAC Name2-[(3-chlorophenyl)methyl-propan-2-ylamino]-N-[[2-(methoxymethyl)phenyl]methyl]acetamide
SMILESCOCc1ccccc1CNC(=O)CN(Cc1cccc(Cl)c1)C(C)C
InChIInChI=1S/C21H27ClN2O2/c1-16(2)24(13-17-7-6-10-20(22)11-17)14-21(25)23-12-18-8-4-5-9-19(18)15-26-3/h4-11,16H,12-15H2,1-3H3,(H,23,25)
InChIKeyYCMDSVPHUHKXRF-UHFFFAOYSA-N
XLogP4.01
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.91
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-chlorophenyl)methylsulfanyl]-N-[[2-(methoxymethyl)phenyl]methyl]acetamide
CID 32601859
2-[(3-chlorophenyl)methyl-propan-2-ylamino]-N-(phenylcarbamoyl)acetamide
CID 60512943
2-[[2-[(3-chlorophenyl)methyl-propan-2-ylamino]acetyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 60512989
1-(3-chlorophenyl)-N-[[2-(methoxymethyl)phenyl]methyl]methanamine
CID 60744302
ethyl 2-[(3-chlorophenyl)methyl-propan-2-ylamino]acetate
CID 60775299
2-[(3-chlorophenyl)methyl-propan-2-ylamino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 60513164
2-[(3-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 126325495
2-[(3-chlorophenyl)methyl-propan-2-ylamino]-N-(3,4-dihydro-2H-chromen-4-yl)acetamide
CID 60512921
2-methoxy-N-[[2-(methoxymethyl)phenyl]methyl]acetamide
CID 60737939
N-benzyl-2-[(3-chlorophenyl)methyl-ethylamino]acetamide
CID 52682333
N-[(2-chlorophenyl)methyl]-2-[(3-chlorophenyl)methyl-methylamino]propanamide
CID 18094060
1-[2-(3-chlorophenyl)ethyl]-3-[[2-(propan-2-yloxymethyl)phenyl]methyl]urea
CID 55570535

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)methyl-propan-2-ylamino]-N-[[2-(methoxymethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-[(3-chlorophenyl)methyl-propan-2-ylamino]-N-[[2-(methoxymethyl)phenyl]methyl]acetamide (CID 60512946) is 2-[(3-chlorophenyl)methyl-propan-2-ylamino]-N-[[2-(methoxymethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-[(3-chlorophenyl)methyl-propan-2-ylamino]-N-[[2-(methoxymethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-[(3-chlorophenyl)methyl-propan-2-ylamino]-N-[[2-(methoxymethyl)phenyl]methyl]acetamide is COCc1ccccc1CNC(=O)CN(Cc1cccc(Cl)c1)C(C)C.
What is the InChIKey of 2-[(3-chlorophenyl)methyl-propan-2-ylamino]-N-[[2-(methoxymethyl)phenyl]methyl]acetamide?
The InChIKey is YCMDSVPHUHKXRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27ClN2O2/c1-16(2)24(13-17-7-6-10-20(22)11-17)14-21(25)23-12-18-8-4-5-9-19(18)15-26-3/h4-11,16H,12-15H2,1-3H3,(H,23,25).
What are the key properties of 2-[(3-chlorophenyl)methyl-propan-2-ylamino]-N-[[2-(methoxymethyl)phenyl]methyl]acetamide?
2-[(3-chlorophenyl)methyl-propan-2-ylamino]-N-[[2-(methoxymethyl)phenyl]methyl]acetamide has a molecular weight of 374.91 g/mol, XLogP of 4.01, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)methyl-propan-2-ylamino]-N-[[2-(methoxymethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 60512946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).