(2S)-N-[(4-ethylphenyl)methyl]-2-(3-methylphenoxy)-N-(pyridin-3-ylmethyl)propanamide

C25H28N2O2 — CID 8852538

IUPAC(2S)-N-[(4-ethylphenyl)methyl]-2-(3-methylphenoxy)-N-(pyridin-3-ylmethyl)propanamide
SMILESCCc1ccc(CN(Cc2cccnc2)C(=O)[C@H](C)Oc2cccc(C)c2)cc1
InChIInChI=1S/C25H28N2O2/c1-4-21-10-12-22(13-11-21)17-27(18-23-8-6-14-26-16-23)25(28)20(3)29-24-9-5-7-19(2)15-24/h5-16,20H,4,17-18H2,1-3H3/t20-/m0/s1
InChIKeyDZWOWIMYWITRNK-FQEVSTJZSA-N
MW388.51 g/mol
LogP4.95
Rot. Bonds8

About (2S)-N-[(4-ethylphenyl)methyl]-2-(3-methylphenoxy)-N-(pyridin-3-ylmethyl)propanamide

(2S)-N-[(4-ethylphenyl)methyl]-2-(3-methylphenoxy)-N-(pyridin-3-ylmethyl)propanamide (PubChem CID 8852538) has the molecular formula C25H28N2O2 and a molecular weight of 388.51 g/mol. Its IUPAC name is (2S)-N-[(4-ethylphenyl)methyl]-2-(3-methylphenoxy)-N-(pyridin-3-ylmethyl)propanamide.

Molecular Properties

Compound Name(2S)-N-[(4-ethylphenyl)methyl]-2-(3-methylphenoxy)-N-(pyridin-3-ylmethyl)propanamide
PubChem CID8852538
Molecular FormulaC25H28N2O2
Molecular Weight388.51 g/mol
Exact Mass388.22
IUPAC Name(2S)-N-[(4-ethylphenyl)methyl]-2-(3-methylphenoxy)-N-(pyridin-3-ylmethyl)propanamide
SMILESCCc1ccc(CN(Cc2cccnc2)C(=O)[C@H](C)Oc2cccc(C)c2)cc1
InChIInChI=1S/C25H28N2O2/c1-4-21-10-12-22(13-11-21)17-27(18-23-8-6-14-26-16-23)25(28)20(3)29-24-9-5-7-19(2)15-24/h5-16,20H,4,17-18H2,1-3H3/t20-/m0/s1
InChIKeyDZWOWIMYWITRNK-FQEVSTJZSA-N
XLogP4.95
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methylphenoxy)-N-(pyridin-3-ylmethyl)propanamide
CID 21366996
(2S)-2-(3-fluorophenoxy)-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-3-ylmethyl)propanamide
CID 94628652
1-[(4-ethylphenyl)methyl]-3-[(2R)-1-methoxypropan-2-yl]-1-(pyridin-3-ylmethyl)urea
CID 95283557
N-(3-aminopropyl)-N-benzyl-2-pyridin-3-yloxypropanamide
CID 120648074
N-[(4-methoxyphenyl)methyl]-N-methyl-2-(3-methylphenoxy)propanamide
CID 21368307
N-methyl-2-(3-methylphenoxy)-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 112791754
2-(3-methylphenoxy)-N,N-di(propan-2-yl)propanamide
CID 5211890
N-[(4-ethylphenyl)methyl]-3-methylsulfonyl-N-(pyridin-3-ylmethyl)benzamide
CID 39738224
2-(3-methylphenoxy)-N-pyridin-3-ylpropanamide
CID 6471992
methyl 3-[ethyl-[2-(3-methylphenoxy)propanoyl]amino]propanoate
CID 61006680
N-[(4-ethylphenyl)methyl]-3-(4-fluorophenoxy)-N-(pyridin-3-ylmethyl)propanamide
CID 55595750
N-[4-[(4-ethylphenyl)methyl-(pyridin-3-ylmethyl)amino]-4-oxobutan-2-yl]benzamide
CID 47785477

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(4-ethylphenyl)methyl]-2-(3-methylphenoxy)-N-(pyridin-3-ylmethyl)propanamide?
The IUPAC name of (2S)-N-[(4-ethylphenyl)methyl]-2-(3-methylphenoxy)-N-(pyridin-3-ylmethyl)propanamide (CID 8852538) is (2S)-N-[(4-ethylphenyl)methyl]-2-(3-methylphenoxy)-N-(pyridin-3-ylmethyl)propanamide.
What is the SMILES notation for (2S)-N-[(4-ethylphenyl)methyl]-2-(3-methylphenoxy)-N-(pyridin-3-ylmethyl)propanamide?
The canonical SMILES for (2S)-N-[(4-ethylphenyl)methyl]-2-(3-methylphenoxy)-N-(pyridin-3-ylmethyl)propanamide is CCc1ccc(CN(Cc2cccnc2)C(=O)[C@H](C)Oc2cccc(C)c2)cc1.
What is the InChIKey of (2S)-N-[(4-ethylphenyl)methyl]-2-(3-methylphenoxy)-N-(pyridin-3-ylmethyl)propanamide?
The InChIKey is DZWOWIMYWITRNK-FQEVSTJZSA-N. The full InChI is InChI=1S/C25H28N2O2/c1-4-21-10-12-22(13-11-21)17-27(18-23-8-6-14-26-16-23)25(28)20(3)29-24-9-5-7-19(2)15-24/h5-16,20H,4,17-18H2,1-3H3/t20-/m0/s1.
What are the key properties of (2S)-N-[(4-ethylphenyl)methyl]-2-(3-methylphenoxy)-N-(pyridin-3-ylmethyl)propanamide?
(2S)-N-[(4-ethylphenyl)methyl]-2-(3-methylphenoxy)-N-(pyridin-3-ylmethyl)propanamide has a molecular weight of 388.51 g/mol, XLogP of 4.95, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(4-ethylphenyl)methyl]-2-(3-methylphenoxy)-N-(pyridin-3-ylmethyl)propanamide is sourced from PubChem (CID 8852538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).