3-[(3R,4S)-3-[[2-(4-methylphenoxy)acetyl]amino]-4-propan-2-ylpyrrolidin-1-yl]propanamide

C19H29N3O3 — CID 72837173

IUPAC3-[(3R,4S)-3-[[2-(4-methylphenoxy)acetyl]amino]-4-propan-2-ylpyrrolidin-1-yl]propanamide
SMILESCc1ccc(OCC(=O)N[C@H]2CN(CCC(N)=O)C[C@@H]2C(C)C)cc1
InChIInChI=1S/C19H29N3O3/c1-13(2)16-10-22(9-8-18(20)23)11-17(16)21-19(24)12-25-15-6-4-14(3)5-7-15/h4-7,13,16-17H,8-12H2,1-3H3,(H2,20,23)(H,21,24)/t16-,17+/m1/s1
InChIKeyHJLJGRLWFMJNOC-SJORKVTESA-N
MW347.46 g/mol
LogP1.32
Rot. Bonds8

About 3-[(3R,4S)-3-[[2-(4-methylphenoxy)acetyl]amino]-4-propan-2-ylpyrrolidin-1-yl]propanamide

3-[(3R,4S)-3-[[2-(4-methylphenoxy)acetyl]amino]-4-propan-2-ylpyrrolidin-1-yl]propanamide (PubChem CID 72837173) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is 3-[(3R,4S)-3-[[2-(4-methylphenoxy)acetyl]amino]-4-propan-2-ylpyrrolidin-1-yl]propanamide.

Molecular Properties

Compound Name3-[(3R,4S)-3-[[2-(4-methylphenoxy)acetyl]amino]-4-propan-2-ylpyrrolidin-1-yl]propanamide
PubChem CID72837173
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Name3-[(3R,4S)-3-[[2-(4-methylphenoxy)acetyl]amino]-4-propan-2-ylpyrrolidin-1-yl]propanamide
SMILESCc1ccc(OCC(=O)N[C@H]2CN(CCC(N)=O)C[C@@H]2C(C)C)cc1
InChIInChI=1S/C19H29N3O3/c1-13(2)16-10-22(9-8-18(20)23)11-17(16)21-19(24)12-25-15-6-4-14(3)5-7-15/h4-7,13,16-17H,8-12H2,1-3H3,(H2,20,23)(H,21,24)/t16-,17+/m1/s1
InChIKeyHJLJGRLWFMJNOC-SJORKVTESA-N
XLogP1.32
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3S,4R)-1-(2-amino-2-oxoethyl)-4-propan-2-ylpyrrolidin-3-yl]-4-phenoxybutanamide
CID 133127621
2-(4-methylphenoxy)-N-[(1S,2S)-2-[[2-(4-methylphenoxy)acetyl]amino]cyclohexyl]acetamide
CID 1012632
2-methoxy-N-[1-(2-methylsulfonylethyl)-4-propan-2-ylpyrrolidin-3-yl]acetamide
CID 156603401
3-[(3S,4R)-1-[2-(2-methoxy-4-methylphenoxy)ethyl]-4-propan-2-ylpyrrolidin-3-yl]-1,1-dimethylurea
CID 72920879
N-cyclododecyl-2-(4-methylphenoxy)acetamide
CID 2788426
N-(4-aminocyclohexyl)-2-(4-methylphenoxy)acetamide;hydrochloride
CID 119474987
2-(4-methylphenoxy)-N-[(3S)-pyrrolidin-3-yl]acetamide
CID 94803257
N-cyclohexyl-2-[4-(4-methylphenyl)phenoxy]acetamide
CID 720119
2-(4-methylphenoxy)-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119450091
2-(4-methylphenoxy)-N-(2-methylpiperidin-3-yl)acetamide
CID 120576127
N-[1-(2-chloropropanoyl)piperidin-4-yl]-2-(4-methylphenoxy)acetamide
CID 108562484
2-(4-propan-2-ylphenoxy)-N-[(1S,2R)-2-[[2-(4-propan-2-ylphenoxy)acetyl]amino]cyclohexyl]acetamide
CID 27870934

Frequently Asked Questions

What is the IUPAC name of 3-[(3R,4S)-3-[[2-(4-methylphenoxy)acetyl]amino]-4-propan-2-ylpyrrolidin-1-yl]propanamide?
The IUPAC name of 3-[(3R,4S)-3-[[2-(4-methylphenoxy)acetyl]amino]-4-propan-2-ylpyrrolidin-1-yl]propanamide (CID 72837173) is 3-[(3R,4S)-3-[[2-(4-methylphenoxy)acetyl]amino]-4-propan-2-ylpyrrolidin-1-yl]propanamide.
What is the SMILES notation for 3-[(3R,4S)-3-[[2-(4-methylphenoxy)acetyl]amino]-4-propan-2-ylpyrrolidin-1-yl]propanamide?
The canonical SMILES for 3-[(3R,4S)-3-[[2-(4-methylphenoxy)acetyl]amino]-4-propan-2-ylpyrrolidin-1-yl]propanamide is Cc1ccc(OCC(=O)N[C@H]2CN(CCC(N)=O)C[C@@H]2C(C)C)cc1.
What is the InChIKey of 3-[(3R,4S)-3-[[2-(4-methylphenoxy)acetyl]amino]-4-propan-2-ylpyrrolidin-1-yl]propanamide?
The InChIKey is HJLJGRLWFMJNOC-SJORKVTESA-N. The full InChI is InChI=1S/C19H29N3O3/c1-13(2)16-10-22(9-8-18(20)23)11-17(16)21-19(24)12-25-15-6-4-14(3)5-7-15/h4-7,13,16-17H,8-12H2,1-3H3,(H2,20,23)(H,21,24)/t16-,17+/m1/s1.
What are the key properties of 3-[(3R,4S)-3-[[2-(4-methylphenoxy)acetyl]amino]-4-propan-2-ylpyrrolidin-1-yl]propanamide?
3-[(3R,4S)-3-[[2-(4-methylphenoxy)acetyl]amino]-4-propan-2-ylpyrrolidin-1-yl]propanamide has a molecular weight of 347.46 g/mol, XLogP of 1.32, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R,4S)-3-[[2-(4-methylphenoxy)acetyl]amino]-4-propan-2-ylpyrrolidin-1-yl]propanamide is sourced from PubChem (CID 72837173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).