(2S)-2-(4-chloro-3,5-dimethylphenoxy)-N-pyridin-2-yl-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide

C26H29ClN2O5 — CID 35041654

IUPAC(2S)-2-(4-chloro-3,5-dimethylphenoxy)-N-pyridin-2-yl-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide
SMILESCOc1cc(CN(C(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)c2ccccn2)cc(OC)c1OC
InChIInChI=1S/C26H29ClN2O5/c1-16-11-20(12-17(2)24(16)27)34-18(3)26(30)29(23-9-7-8-10-28-23)15-19-13-21(31-4)25(33-6)22(14-19)32-5/h7-14,18H,15H2,1-6H3/t18-/m0/s1
InChIKeyIGQVXMXPKUPCNV-SFHVURJKSA-N
MW484.98 g/mol
LogP5.38
Rot. Bonds9

About (2S)-2-(4-chloro-3,5-dimethylphenoxy)-N-pyridin-2-yl-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide

(2S)-2-(4-chloro-3,5-dimethylphenoxy)-N-pyridin-2-yl-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide (PubChem CID 35041654) has the molecular formula C26H29ClN2O5 and a molecular weight of 484.98 g/mol. Its IUPAC name is (2S)-2-(4-chloro-3,5-dimethylphenoxy)-N-pyridin-2-yl-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(4-chloro-3,5-dimethylphenoxy)-N-pyridin-2-yl-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide
PubChem CID35041654
Molecular FormulaC26H29ClN2O5
Molecular Weight484.98 g/mol
Exact Mass484.18
IUPAC Name(2S)-2-(4-chloro-3,5-dimethylphenoxy)-N-pyridin-2-yl-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide
SMILESCOc1cc(CN(C(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)c2ccccn2)cc(OC)c1OC
InChIInChI=1S/C26H29ClN2O5/c1-16-11-20(12-17(2)24(16)27)34-18(3)26(30)29(23-9-7-8-10-28-23)15-19-13-21(31-4)25(33-6)22(14-19)32-5/h7-14,18H,15H2,1-6H3/t18-/m0/s1
InChIKeyIGQVXMXPKUPCNV-SFHVURJKSA-N
XLogP5.38
TPSA70.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.98
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-2-(3,4-dimethylphenoxy)-N-pyridin-2-ylpropanamide
CID 18830895
(2S)-2-(4-chloro-3,5-dimethylphenoxy)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylpropanamide
CID 99954741
3,5,7-trimethyl-N-pyridin-2-yl-N-[(3,4,5-trimethoxyphenyl)methyl]-1-benzofuran-2-carboxamide
CID 35578892
5-(4-methylphenyl)-N-pyridin-2-yl-N-[(3,4,5-trimethoxyphenyl)methyl]-1,2-oxazole-3-carboxamide
CID 139582584
2-(4-chloro-3,5-dimethylphenoxy)-N-[(3-fluorophenyl)methyl]-N-pyridin-2-ylacetamide
CID 35578649
2-(4-methylphenoxy)-N-pyridin-2-yl-N-(thiophen-2-ylmethyl)propanamide
CID 67510388
(2S)-N-[(2-chloro-6-fluorophenyl)methyl]-2-(4-ethylphenoxy)-N-pyridin-2-ylpropanamide
CID 35576773
(2S)-2-(4-chloro-3,5-dimethylphenoxy)-N,N-bis(furan-2-ylmethyl)propanamide
CID 40639487
N-(2-hydroxyphenyl)-2-(4-methoxyphenoxy)-N-(pyridin-2-ylmethyl)propanamide
CID 108732542
2-(4-bromophenoxy)-N-[(3,4-dimethoxyphenyl)methyl]-N-pyridin-2-ylacetamide
CID 17011724
(2R)-2-(3-chlorophenoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide
CID 41261490
N-benzyl-2-methoxy-N-pyridin-2-ylacetamide
CID 798237

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-chloro-3,5-dimethylphenoxy)-N-pyridin-2-yl-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide?
The IUPAC name of (2S)-2-(4-chloro-3,5-dimethylphenoxy)-N-pyridin-2-yl-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide (CID 35041654) is (2S)-2-(4-chloro-3,5-dimethylphenoxy)-N-pyridin-2-yl-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide.
What is the SMILES notation for (2S)-2-(4-chloro-3,5-dimethylphenoxy)-N-pyridin-2-yl-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide?
The canonical SMILES for (2S)-2-(4-chloro-3,5-dimethylphenoxy)-N-pyridin-2-yl-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide is COc1cc(CN(C(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)c2ccccn2)cc(OC)c1OC.
What is the InChIKey of (2S)-2-(4-chloro-3,5-dimethylphenoxy)-N-pyridin-2-yl-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide?
The InChIKey is IGQVXMXPKUPCNV-SFHVURJKSA-N. The full InChI is InChI=1S/C26H29ClN2O5/c1-16-11-20(12-17(2)24(16)27)34-18(3)26(30)29(23-9-7-8-10-28-23)15-19-13-21(31-4)25(33-6)22(14-19)32-5/h7-14,18H,15H2,1-6H3/t18-/m0/s1.
What are the key properties of (2S)-2-(4-chloro-3,5-dimethylphenoxy)-N-pyridin-2-yl-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide?
(2S)-2-(4-chloro-3,5-dimethylphenoxy)-N-pyridin-2-yl-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide has a molecular weight of 484.98 g/mol, XLogP of 5.38, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-chloro-3,5-dimethylphenoxy)-N-pyridin-2-yl-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide is sourced from PubChem (CID 35041654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).