(3S)-3-acetamido-N-[(3-fluoro-4-methylphenyl)methyl]-3-(4-methoxyphenyl)propanamide

C20H23FN2O3 — CID 29491645

IUPAC(3S)-3-acetamido-N-[(3-fluoro-4-methylphenyl)methyl]-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc([C@H](CC(=O)NCc2ccc(C)c(F)c2)NC(C)=O)cc1
InChIInChI=1S/C20H23FN2O3/c1-13-4-5-15(10-18(13)21)12-22-20(25)11-19(23-14(2)24)16-6-8-17(26-3)9-7-16/h4-10,19H,11-12H2,1-3H3,(H,22,25)(H,23,24)/t19-/m0/s1
InChIKeyATOGXBRWSVVDGJ-IBGZPJMESA-N
MW358.41 g/mol
LogP3.03
Rot. Bonds7

About (3S)-3-acetamido-N-[(3-fluoro-4-methylphenyl)methyl]-3-(4-methoxyphenyl)propanamide

(3S)-3-acetamido-N-[(3-fluoro-4-methylphenyl)methyl]-3-(4-methoxyphenyl)propanamide (PubChem CID 29491645) has the molecular formula C20H23FN2O3 and a molecular weight of 358.41 g/mol. Its IUPAC name is (3S)-3-acetamido-N-[(3-fluoro-4-methylphenyl)methyl]-3-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound Name(3S)-3-acetamido-N-[(3-fluoro-4-methylphenyl)methyl]-3-(4-methoxyphenyl)propanamide
PubChem CID29491645
Molecular FormulaC20H23FN2O3
Molecular Weight358.41 g/mol
Exact Mass358.17
IUPAC Name(3S)-3-acetamido-N-[(3-fluoro-4-methylphenyl)methyl]-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc([C@H](CC(=O)NCc2ccc(C)c(F)c2)NC(C)=O)cc1
InChIInChI=1S/C20H23FN2O3/c1-13-4-5-15(10-18(13)21)12-22-20(25)11-19(23-14(2)24)16-6-8-17(26-3)9-7-16/h4-10,19H,11-12H2,1-3H3,(H,22,25)(H,23,24)/t19-/m0/s1
InChIKeyATOGXBRWSVVDGJ-IBGZPJMESA-N
XLogP3.03
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-acetamido-N-[(3-fluoro-4-methylphenyl)methyl]-3-(4-methoxyphenyl)propanamide
CID 42925936
3-acetamido-3-(4-methoxyphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
CID 134057816
3-acetamido-N-[2-(4-chlorophenyl)ethyl]-3-(4-methoxyphenyl)propanamide
CID 46520293
3-acetamido-3-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)propanamide
CID 78805890
(3S)-3-acetamido-3-(4-methoxyphenyl)-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]propanamide
CID 51950942
3-acetamido-3-(4-methoxyphenyl)-N-[2-(2-methylphenyl)ethyl]propanamide
CID 86906508
(2S)-N-[(3-fluoro-4-methylphenyl)methyl]-2-(6-methoxynaphthalen-2-yl)propanamide
CID 25316643
(3S)-3-acetamido-3-(4-methoxyphenyl)-N-(3-methoxypropyl)propanamide
CID 32686708
3-acetamido-3-(4-methoxyphenyl)-N-(4-methylpentyl)propanamide
CID 134021990
3-acetamido-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(4-methoxyphenyl)propanamide
CID 167944863
3-acetamido-3-(4-methoxyphenyl)-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]propanamide
CID 78904885
(3S)-3-acetamido-N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-(4-methoxyphenyl)propanamide
CID 51954210

Frequently Asked Questions

What is the IUPAC name of (3S)-3-acetamido-N-[(3-fluoro-4-methylphenyl)methyl]-3-(4-methoxyphenyl)propanamide?
The IUPAC name of (3S)-3-acetamido-N-[(3-fluoro-4-methylphenyl)methyl]-3-(4-methoxyphenyl)propanamide (CID 29491645) is (3S)-3-acetamido-N-[(3-fluoro-4-methylphenyl)methyl]-3-(4-methoxyphenyl)propanamide.
What is the SMILES notation for (3S)-3-acetamido-N-[(3-fluoro-4-methylphenyl)methyl]-3-(4-methoxyphenyl)propanamide?
The canonical SMILES for (3S)-3-acetamido-N-[(3-fluoro-4-methylphenyl)methyl]-3-(4-methoxyphenyl)propanamide is COc1ccc([C@H](CC(=O)NCc2ccc(C)c(F)c2)NC(C)=O)cc1.
What is the InChIKey of (3S)-3-acetamido-N-[(3-fluoro-4-methylphenyl)methyl]-3-(4-methoxyphenyl)propanamide?
The InChIKey is ATOGXBRWSVVDGJ-IBGZPJMESA-N. The full InChI is InChI=1S/C20H23FN2O3/c1-13-4-5-15(10-18(13)21)12-22-20(25)11-19(23-14(2)24)16-6-8-17(26-3)9-7-16/h4-10,19H,11-12H2,1-3H3,(H,22,25)(H,23,24)/t19-/m0/s1.
What are the key properties of (3S)-3-acetamido-N-[(3-fluoro-4-methylphenyl)methyl]-3-(4-methoxyphenyl)propanamide?
(3S)-3-acetamido-N-[(3-fluoro-4-methylphenyl)methyl]-3-(4-methoxyphenyl)propanamide has a molecular weight of 358.41 g/mol, XLogP of 3.03, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-acetamido-N-[(3-fluoro-4-methylphenyl)methyl]-3-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 29491645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).