(2R)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]-N-(2-methoxy-5-methylphenyl)propanamide

C22H30N2O4 — CID 9494576

IUPAC(2R)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]-N-(2-methoxy-5-methylphenyl)propanamide
SMILESCCOc1ccc(CN(C)[C@H](C)C(=O)Nc2cc(C)ccc2OC)cc1OC
InChIInChI=1S/C22H30N2O4/c1-7-28-20-11-9-17(13-21(20)27-6)14-24(4)16(3)22(25)23-18-12-15(2)8-10-19(18)26-5/h8-13,16H,7,14H2,1-6H3,(H,23,25)/t16-/m1/s1
InChIKeyQCSKEVRVWMLZMS-MRXNPFEDSA-N
MW386.49 g/mol
LogP3.87
Rot. Bonds9

About (2R)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]-N-(2-methoxy-5-methylphenyl)propanamide

(2R)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]-N-(2-methoxy-5-methylphenyl)propanamide (PubChem CID 9494576) has the molecular formula C22H30N2O4 and a molecular weight of 386.49 g/mol. Its IUPAC name is (2R)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]-N-(2-methoxy-5-methylphenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]-N-(2-methoxy-5-methylphenyl)propanamide
PubChem CID9494576
Molecular FormulaC22H30N2O4
Molecular Weight386.49 g/mol
Exact Mass386.22
IUPAC Name(2R)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]-N-(2-methoxy-5-methylphenyl)propanamide
SMILESCCOc1ccc(CN(C)[C@H](C)C(=O)Nc2cc(C)ccc2OC)cc1OC
InChIInChI=1S/C22H30N2O4/c1-7-28-20-11-9-17(13-21(20)27-6)14-24(4)16(3)22(25)23-18-12-15(2)8-10-19(18)26-5/h8-13,16H,7,14H2,1-6H3,(H,23,25)/t16-/m1/s1
InChIKeyQCSKEVRVWMLZMS-MRXNPFEDSA-N
XLogP3.87
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.49
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]-N-methylpropanamide
CID 8694700
(2R)-N-(3-chloro-2-methylphenyl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]propanamide
CID 9494560
(2R)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]-N-naphthalen-1-ylpropanamide
CID 8798163
(2S)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]-N-(propan-2-ylcarbamoyl)propanamide
CID 9494705
(2R)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]-N-(2-nitrophenyl)propanamide
CID 8515183
2-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]-N-(2,4-dimethylphenyl)propanamide
CID 46405979
2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-N-(2,4-dimethylphenyl)propanamide
CID 46632198
(2R)-N-(5-chloro-2-methoxyphenyl)-2-[(4-ethoxyphenyl)methyl-methylamino]propanamide
CID 8024150
(2R)-N-(2,5-dimethylphenyl)-2-[(4-ethoxyphenyl)methyl-methylamino]propanamide
CID 9494772
(2R)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 9494628
(2S)-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-(2-ethoxyphenyl)propanamide
CID 9461387
(2R)-N-(benzylcarbamoyl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]propanamide
CID 9494696

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]-N-(2-methoxy-5-methylphenyl)propanamide?
The IUPAC name of (2R)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]-N-(2-methoxy-5-methylphenyl)propanamide (CID 9494576) is (2R)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]-N-(2-methoxy-5-methylphenyl)propanamide.
What is the SMILES notation for (2R)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]-N-(2-methoxy-5-methylphenyl)propanamide?
The canonical SMILES for (2R)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]-N-(2-methoxy-5-methylphenyl)propanamide is CCOc1ccc(CN(C)[C@H](C)C(=O)Nc2cc(C)ccc2OC)cc1OC.
What is the InChIKey of (2R)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]-N-(2-methoxy-5-methylphenyl)propanamide?
The InChIKey is QCSKEVRVWMLZMS-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H30N2O4/c1-7-28-20-11-9-17(13-21(20)27-6)14-24(4)16(3)22(25)23-18-12-15(2)8-10-19(18)26-5/h8-13,16H,7,14H2,1-6H3,(H,23,25)/t16-/m1/s1.
What are the key properties of (2R)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]-N-(2-methoxy-5-methylphenyl)propanamide?
(2R)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]-N-(2-methoxy-5-methylphenyl)propanamide has a molecular weight of 386.49 g/mol, XLogP of 3.87, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]-N-(2-methoxy-5-methylphenyl)propanamide is sourced from PubChem (CID 9494576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).