(1R,2R,4R)-2-[(2-methoxyacetyl)amino]-4-(phenoxymethyl)-N-propan-2-ylcyclopentane-1-carboxamide

C19H28N2O4 — CID 146067377

IUPAC(1R,2R,4R)-2-[(2-methoxyacetyl)amino]-4-(phenoxymethyl)-N-propan-2-ylcyclopentane-1-carboxamide
SMILESCOCC(=O)N[C@@H]1C[C@H](COc2ccccc2)C[C@H]1C(=O)NC(C)C
InChIInChI=1S/C19H28N2O4/c1-13(2)20-19(23)16-9-14(10-17(16)21-18(22)12-24-3)11-25-15-7-5-4-6-8-15/h4-8,13-14,16-17H,9-12H2,1-3H3,(H,20,23)(H,21,22)/t14-,16-,17-/m1/s1
InChIKeyPSWCHHSTOJUHID-DJIMGWMZSA-N
MW348.44 g/mol
LogP1.75
Rot. Bonds8

About (1R,2R,4R)-2-[(2-methoxyacetyl)amino]-4-(phenoxymethyl)-N-propan-2-ylcyclopentane-1-carboxamide

(1R,2R,4R)-2-[(2-methoxyacetyl)amino]-4-(phenoxymethyl)-N-propan-2-ylcyclopentane-1-carboxamide (PubChem CID 146067377) has the molecular formula C19H28N2O4 and a molecular weight of 348.44 g/mol. Its IUPAC name is (1R,2R,4R)-2-[(2-methoxyacetyl)amino]-4-(phenoxymethyl)-N-propan-2-ylcyclopentane-1-carboxamide.

Molecular Properties

Compound Name(1R,2R,4R)-2-[(2-methoxyacetyl)amino]-4-(phenoxymethyl)-N-propan-2-ylcyclopentane-1-carboxamide
PubChem CID146067377
Molecular FormulaC19H28N2O4
Molecular Weight348.44 g/mol
Exact Mass348.20
IUPAC Name(1R,2R,4R)-2-[(2-methoxyacetyl)amino]-4-(phenoxymethyl)-N-propan-2-ylcyclopentane-1-carboxamide
SMILESCOCC(=O)N[C@@H]1C[C@H](COc2ccccc2)C[C@H]1C(=O)NC(C)C
InChIInChI=1S/C19H28N2O4/c1-13(2)20-19(23)16-9-14(10-17(16)21-18(22)12-24-3)11-25-15-7-5-4-6-8-15/h4-8,13-14,16-17H,9-12H2,1-3H3,(H,20,23)(H,21,22)/t14-,16-,17-/m1/s1
InChIKeyPSWCHHSTOJUHID-DJIMGWMZSA-N
XLogP1.75
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (1R,2R,4R)-2-[(2-methoxyacetyl)amino]-4-(phenoxymethyl)-N-propan-2-ylcyclopentane-1-carboxamide with MolForge

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Related Compounds

N-[(1R,2R,4R)-4-(phenoxymethyl)-2-(piperidine-1-carbonyl)cyclopentyl]cyclopropanecarboxamide
CID 146067402
2-phenoxy-N-propan-2-ylacetamide
CID 3614481
2-chloro-N-[3-(phenoxymethyl)cyclobutyl]acetamide
CID 166431671
N-[(1R,2S,3R,4R)-2-(dimethylamino)-3-hydroxy-4-phenoxycyclopentyl]-2-methoxyacetamide
CID 110143549
[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] (2S)-3-methyl-2-[(2-phenoxyacetyl)amino]butanoate
CID 11934185
N-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-2-phenoxyacetamide
CID 110164138
N-cyclohexyl-2-[(2-phenoxyacetyl)amino]propanamide
CID 51160967
N-cyclohexyl-2-[3-(phenoxymethyl)piperidin-1-yl]propanamide
CID 86972360
N-[(1S,2R)-2-(2-chlorophenyl)cyclopropyl]-2-methoxyacetamide
CID 90020152
N-(5-methylpyrazolidin-3-yl)-2-phenoxyacetamide
CID 75266971
N-[2-(2-chlorophenyl)cyclopropyl]-2-methoxyacetamide
CID 90019460
N-(4-methylpyrrolidin-3-yl)-2-phenoxyacetamide
CID 104826135

Frequently Asked Questions

What is the IUPAC name of (1R,2R,4R)-2-[(2-methoxyacetyl)amino]-4-(phenoxymethyl)-N-propan-2-ylcyclopentane-1-carboxamide?
The IUPAC name of (1R,2R,4R)-2-[(2-methoxyacetyl)amino]-4-(phenoxymethyl)-N-propan-2-ylcyclopentane-1-carboxamide (CID 146067377) is (1R,2R,4R)-2-[(2-methoxyacetyl)amino]-4-(phenoxymethyl)-N-propan-2-ylcyclopentane-1-carboxamide.
What is the SMILES notation for (1R,2R,4R)-2-[(2-methoxyacetyl)amino]-4-(phenoxymethyl)-N-propan-2-ylcyclopentane-1-carboxamide?
The canonical SMILES for (1R,2R,4R)-2-[(2-methoxyacetyl)amino]-4-(phenoxymethyl)-N-propan-2-ylcyclopentane-1-carboxamide is COCC(=O)N[C@@H]1C[C@H](COc2ccccc2)C[C@H]1C(=O)NC(C)C.
What is the InChIKey of (1R,2R,4R)-2-[(2-methoxyacetyl)amino]-4-(phenoxymethyl)-N-propan-2-ylcyclopentane-1-carboxamide?
The InChIKey is PSWCHHSTOJUHID-DJIMGWMZSA-N. The full InChI is InChI=1S/C19H28N2O4/c1-13(2)20-19(23)16-9-14(10-17(16)21-18(22)12-24-3)11-25-15-7-5-4-6-8-15/h4-8,13-14,16-17H,9-12H2,1-3H3,(H,20,23)(H,21,22)/t14-,16-,17-/m1/s1.
What are the key properties of (1R,2R,4R)-2-[(2-methoxyacetyl)amino]-4-(phenoxymethyl)-N-propan-2-ylcyclopentane-1-carboxamide?
(1R,2R,4R)-2-[(2-methoxyacetyl)amino]-4-(phenoxymethyl)-N-propan-2-ylcyclopentane-1-carboxamide has a molecular weight of 348.44 g/mol, XLogP of 1.75, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,4R)-2-[(2-methoxyacetyl)amino]-4-(phenoxymethyl)-N-propan-2-ylcyclopentane-1-carboxamide is sourced from PubChem (CID 146067377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).