N-[4-[[ethyl-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]carbamoyl]amino]-2-methoxyphenyl]acetamide

C24H32N4O3 — CID 98773798

IUPACN-[4-[[ethyl-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]carbamoyl]amino]-2-methoxyphenyl]acetamide
SMILESCCN(C(=O)Nc1ccc(NC(C)=O)c(OC)c1)[C@@H]1CCN([C@H](C)c2ccccc2)C1
InChIInChI=1S/C24H32N4O3/c1-5-28(21-13-14-27(16-21)17(2)19-9-7-6-8-10-19)24(30)26-20-11-12-22(25-18(3)29)23(15-20)31-4/h6-12,15,17,21H,5,13-14,16H2,1-4H3,(H,25,29)(H,26,30)/t17-,21-/m1/s1
InChIKeyJVNZEMYXBWEJSX-DYESRHJHSA-N
MW424.55 g/mol
LogP4.34
Rot. Bonds7

About N-[4-[[ethyl-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]carbamoyl]amino]-2-methoxyphenyl]acetamide

N-[4-[[ethyl-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]carbamoyl]amino]-2-methoxyphenyl]acetamide (PubChem CID 98773798) has the molecular formula C24H32N4O3 and a molecular weight of 424.55 g/mol. Its IUPAC name is N-[4-[[ethyl-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]carbamoyl]amino]-2-methoxyphenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[ethyl-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]carbamoyl]amino]-2-methoxyphenyl]acetamide
PubChem CID98773798
Molecular FormulaC24H32N4O3
Molecular Weight424.55 g/mol
Exact Mass424.25
IUPAC NameN-[4-[[ethyl-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]carbamoyl]amino]-2-methoxyphenyl]acetamide
SMILESCCN(C(=O)Nc1ccc(NC(C)=O)c(OC)c1)[C@@H]1CCN([C@H](C)c2ccccc2)C1
InChIInChI=1S/C24H32N4O3/c1-5-28(21-13-14-27(16-21)17(2)19-9-7-6-8-10-19)24(30)26-20-11-12-22(25-18(3)29)23(15-20)31-4/h6-12,15,17,21H,5,13-14,16H2,1-4H3,(H,25,29)(H,26,30)/t17-,21-/m1/s1
InChIKeyJVNZEMYXBWEJSX-DYESRHJHSA-N
XLogP4.34
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.55
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[4-[[ethyl-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]carbamoyl]amino]-2-methoxyphenyl]acetamide with MolForge

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Related Compounds

N-[4-[[ethyl-[(3S)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]carbamoyl]amino]-2-methoxyphenyl]acetamide
CID 96537032
N-ethyl-N-[1-(1-phenylethyl)pyrrolidin-3-yl]acetamide
CID 51091141
N-ethyl-2-methoxy-N-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]acetamide
CID 98753200
4-bromo-N-ethyl-3,5-dimethoxy-N-[(3S)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]benzamide
CID 98691639
1-ethyl-3-(5-methyl-1,2-oxazol-3-yl)-1-[(3S)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]urea
CID 96529450
3-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-ethyl-1-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]urea
CID 98768605
(2S)-N-ethyl-2-(2-methylpropoxy)-N-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]propanamide
CID 98728361
N-[4-(diethylcarbamoylamino)-2-methoxyphenyl]acetamide
CID 47222814
N-ethyl-3-methoxy-N-[1-(1-phenylethyl)pyrrolidin-3-yl]-1,2-oxazole-5-carboxamide
CID 75507595
2-[2-[ethyl-[(3S)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]amino]-2-oxoethyl]sulfanylacetamide
CID 98763399
N-(4-acetamido-3-methoxyphenyl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetamide
CID 56505439
N-ethyl-5-methyl-N-[(3S)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
CID 95286765

Frequently Asked Questions

What is the IUPAC name of N-[4-[[ethyl-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]carbamoyl]amino]-2-methoxyphenyl]acetamide?
The IUPAC name of N-[4-[[ethyl-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]carbamoyl]amino]-2-methoxyphenyl]acetamide (CID 98773798) is N-[4-[[ethyl-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]carbamoyl]amino]-2-methoxyphenyl]acetamide.
What is the SMILES notation for N-[4-[[ethyl-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]carbamoyl]amino]-2-methoxyphenyl]acetamide?
The canonical SMILES for N-[4-[[ethyl-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]carbamoyl]amino]-2-methoxyphenyl]acetamide is CCN(C(=O)Nc1ccc(NC(C)=O)c(OC)c1)[C@@H]1CCN([C@H](C)c2ccccc2)C1.
What is the InChIKey of N-[4-[[ethyl-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]carbamoyl]amino]-2-methoxyphenyl]acetamide?
The InChIKey is JVNZEMYXBWEJSX-DYESRHJHSA-N. The full InChI is InChI=1S/C24H32N4O3/c1-5-28(21-13-14-27(16-21)17(2)19-9-7-6-8-10-19)24(30)26-20-11-12-22(25-18(3)29)23(15-20)31-4/h6-12,15,17,21H,5,13-14,16H2,1-4H3,(H,25,29)(H,26,30)/t17-,21-/m1/s1.
What are the key properties of N-[4-[[ethyl-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]carbamoyl]amino]-2-methoxyphenyl]acetamide?
N-[4-[[ethyl-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]carbamoyl]amino]-2-methoxyphenyl]acetamide has a molecular weight of 424.55 g/mol, XLogP of 4.34, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[ethyl-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]carbamoyl]amino]-2-methoxyphenyl]acetamide is sourced from PubChem (CID 98773798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).