(2R)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]-N-naphthalen-1-ylpropanamide

C24H28N2O3 — CID 8798163

IUPAC(2R)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]-N-naphthalen-1-ylpropanamide
SMILESCCOc1ccc(CN(C)[C@H](C)C(=O)Nc2cccc3ccccc23)cc1OC
InChIInChI=1S/C24H28N2O3/c1-5-29-22-14-13-18(15-23(22)28-4)16-26(3)17(2)24(27)25-21-12-8-10-19-9-6-7-11-20(19)21/h6-15,17H,5,16H2,1-4H3,(H,25,27)/t17-/m1/s1
InChIKeyJCKSZNQCCSPZHE-QGZVFWFLSA-N
MW392.50 g/mol
LogP4.71
Rot. Bonds8

About (2R)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]-N-naphthalen-1-ylpropanamide

(2R)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]-N-naphthalen-1-ylpropanamide (PubChem CID 8798163) has the molecular formula C24H28N2O3 and a molecular weight of 392.50 g/mol. Its IUPAC name is (2R)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]-N-naphthalen-1-ylpropanamide.

Molecular Properties

Compound Name(2R)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]-N-naphthalen-1-ylpropanamide
PubChem CID8798163
Molecular FormulaC24H28N2O3
Molecular Weight392.50 g/mol
Exact Mass392.21
IUPAC Name(2R)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]-N-naphthalen-1-ylpropanamide
SMILESCCOc1ccc(CN(C)[C@H](C)C(=O)Nc2cccc3ccccc23)cc1OC
InChIInChI=1S/C24H28N2O3/c1-5-29-22-14-13-18(15-23(22)28-4)16-26(3)17(2)24(27)25-21-12-8-10-19-9-6-7-11-20(19)21/h6-15,17H,5,16H2,1-4H3,(H,25,27)/t17-/m1/s1
InChIKeyJCKSZNQCCSPZHE-QGZVFWFLSA-N
XLogP4.71
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(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-(2-nitrophenyl)propanamide
CID 8515183
(2R)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]-N-(2-methoxy-5-methylphenyl)propanamide
CID 9494576
(2R)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]-N-methylpropanamide
CID 8694700
(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
(2S)-2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-N-(2-methoxyphenyl)propanamide
CID 9054255
(2S)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]-N-(propan-2-ylcarbamoyl)propanamide
CID 9494705
1-butan-2-yl-1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-naphthalen-1-ylurea
CID 42708381
(2S)-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-N-(2-methoxyphenyl)propanamide
CID 9432375
(2R)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 9494628
2-[(3,4-dimethoxyphenyl)methyl-methylamino]-N-naphthalen-1-ylacetamide
CID 16555072

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]-N-naphthalen-1-ylpropanamide?
The IUPAC name of (2R)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]-N-naphthalen-1-ylpropanamide (CID 8798163) is (2R)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]-N-naphthalen-1-ylpropanamide.
What is the SMILES notation for (2R)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]-N-naphthalen-1-ylpropanamide?
The canonical SMILES for (2R)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]-N-naphthalen-1-ylpropanamide is CCOc1ccc(CN(C)[C@H](C)C(=O)Nc2cccc3ccccc23)cc1OC.
What is the InChIKey of (2R)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]-N-naphthalen-1-ylpropanamide?
The InChIKey is JCKSZNQCCSPZHE-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H28N2O3/c1-5-29-22-14-13-18(15-23(22)28-4)16-26(3)17(2)24(27)25-21-12-8-10-19-9-6-7-11-20(19)21/h6-15,17H,5,16H2,1-4H3,(H,25,27)/t17-/m1/s1.
What are the key properties of (2R)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]-N-naphthalen-1-ylpropanamide?
(2R)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]-N-naphthalen-1-ylpropanamide has a molecular weight of 392.50 g/mol, XLogP of 4.71, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]-N-naphthalen-1-ylpropanamide is sourced from PubChem (CID 8798163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).