2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-[(2R)-4-phenylbutan-2-yl]acetamide

C21H27ClN2O2 — CID 9136479

IUPAC2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-[(2R)-4-phenylbutan-2-yl]acetamide
SMILESCOc1ccc(Cl)cc1CN(C)CC(=O)N[C@H](C)CCc1ccccc1
InChIInChI=1S/C21H27ClN2O2/c1-16(9-10-17-7-5-4-6-8-17)23-21(25)15-24(2)14-18-13-19(22)11-12-20(18)26-3/h4-8,11-13,16H,9-10,14-15H2,1-3H3,(H,23,25)/t16-/m1/s1
InChIKeyRBBATOYOHGSHOF-MRXNPFEDSA-N
MW374.91 g/mol
LogP3.92
Rot. Bonds9

About 2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-[(2R)-4-phenylbutan-2-yl]acetamide

2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-[(2R)-4-phenylbutan-2-yl]acetamide (PubChem CID 9136479) has the molecular formula C21H27ClN2O2 and a molecular weight of 374.91 g/mol. Its IUPAC name is 2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-[(2R)-4-phenylbutan-2-yl]acetamide.

Molecular Properties

Compound Name2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-[(2R)-4-phenylbutan-2-yl]acetamide
PubChem CID9136479
Molecular FormulaC21H27ClN2O2
Molecular Weight374.91 g/mol
Exact Mass374.18
IUPAC Name2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-[(2R)-4-phenylbutan-2-yl]acetamide
SMILESCOc1ccc(Cl)cc1CN(C)CC(=O)N[C@H](C)CCc1ccccc1
InChIInChI=1S/C21H27ClN2O2/c1-16(9-10-17-7-5-4-6-8-17)23-21(25)15-24(2)14-18-13-19(22)11-12-20(18)26-3/h4-8,11-13,16H,9-10,14-15H2,1-3H3,(H,23,25)/t16-/m1/s1
InChIKeyRBBATOYOHGSHOF-MRXNPFEDSA-N
XLogP3.92
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 ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-chloro-4-methoxyphenyl)sulfonyl-methylamino]-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 92517130
N-[(3R)-1-benzylpyrrolidin-3-yl]-2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]acetamide
CID 9137299
2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 40976060
(2S)-2-(2,4-dichlorophenoxy)-N-[(2R)-4-phenylbutan-2-yl]propanamide
CID 7506041
(2S)-2-(2,4-dichlorophenoxy)-N-[(2S)-4-phenylbutan-2-yl]propanamide
CID 7506039
2-(2-bromo-4-chlorophenoxy)-N-(4-phenylbutan-2-yl)acetamide
CID 4217698
2-[(4-bromophenyl)methyl-methylamino]-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 9040145
2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-N-(1-phenylethyl)acetamide
CID 4883197
2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-(2,3-dichlorophenyl)acetamide
CID 9136519
2-(2-acetyl-4-chlorophenoxy)-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 7167774
N-[(5-chloro-2-methoxyphenyl)methyl]-2-[methyl(3-methylbutyl)amino]acetamide
CID 87018425
2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-(3-methoxypropyl)acetamide
CID 51227933

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-[(2R)-4-phenylbutan-2-yl]acetamide?
The IUPAC name of 2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-[(2R)-4-phenylbutan-2-yl]acetamide (CID 9136479) is 2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-[(2R)-4-phenylbutan-2-yl]acetamide.
What is the SMILES notation for 2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-[(2R)-4-phenylbutan-2-yl]acetamide?
The canonical SMILES for 2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-[(2R)-4-phenylbutan-2-yl]acetamide is COc1ccc(Cl)cc1CN(C)CC(=O)N[C@H](C)CCc1ccccc1.
What is the InChIKey of 2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-[(2R)-4-phenylbutan-2-yl]acetamide?
The InChIKey is RBBATOYOHGSHOF-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H27ClN2O2/c1-16(9-10-17-7-5-4-6-8-17)23-21(25)15-24(2)14-18-13-19(22)11-12-20(18)26-3/h4-8,11-13,16H,9-10,14-15H2,1-3H3,(H,23,25)/t16-/m1/s1.
What are the key properties of 2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-[(2R)-4-phenylbutan-2-yl]acetamide?
2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-[(2R)-4-phenylbutan-2-yl]acetamide has a molecular weight of 374.91 g/mol, XLogP of 3.92, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-[(2R)-4-phenylbutan-2-yl]acetamide is sourced from PubChem (CID 9136479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).