N-cyclopentyl-2-[(1S,4S,5S)-4-[[(2-methoxyacetyl)amino]methyl]-2-methyl-5-propan-2-ylcyclohex-2-en-1-yl]acetamide

C21H36N2O3 — CID 38027334

IUPACN-cyclopentyl-2-[(1S,4S,5S)-4-[[(2-methoxyacetyl)amino]methyl]-2-methyl-5-propan-2-ylcyclohex-2-en-1-yl]acetamide
SMILESCOCC(=O)NC[C@@H]1C=C(C)[C@H](CC(=O)NC2CCCC2)C[C@H]1C(C)C
InChIInChI=1S/C21H36N2O3/c1-14(2)19-10-16(11-20(24)23-18-7-5-6-8-18)15(3)9-17(19)12-22-21(25)13-26-4/h9,14,16-19H,5-8,10-13H2,1-4H3,(H,22,25)(H,23,24)/t16-,17-,19-/m0/s1
InChIKeySMFDXVYZGWKJRD-LNLFQRSKSA-N
MW364.53 g/mol
LogP3.05
Rot. Bonds8

About N-cyclopentyl-2-[(1S,4S,5S)-4-[[(2-methoxyacetyl)amino]methyl]-2-methyl-5-propan-2-ylcyclohex-2-en-1-yl]acetamide

N-cyclopentyl-2-[(1S,4S,5S)-4-[[(2-methoxyacetyl)amino]methyl]-2-methyl-5-propan-2-ylcyclohex-2-en-1-yl]acetamide (PubChem CID 38027334) has the molecular formula C21H36N2O3 and a molecular weight of 364.53 g/mol. Its IUPAC name is N-cyclopentyl-2-[(1S,4S,5S)-4-[[(2-methoxyacetyl)amino]methyl]-2-methyl-5-propan-2-ylcyclohex-2-en-1-yl]acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[(1S,4S,5S)-4-[[(2-methoxyacetyl)amino]methyl]-2-methyl-5-propan-2-ylcyclohex-2-en-1-yl]acetamide
PubChem CID38027334
Molecular FormulaC21H36N2O3
Molecular Weight364.53 g/mol
Exact Mass364.27
IUPAC NameN-cyclopentyl-2-[(1S,4S,5S)-4-[[(2-methoxyacetyl)amino]methyl]-2-methyl-5-propan-2-ylcyclohex-2-en-1-yl]acetamide
SMILESCOCC(=O)NC[C@@H]1C=C(C)[C@H](CC(=O)NC2CCCC2)C[C@H]1C(C)C
InChIInChI=1S/C21H36N2O3/c1-14(2)19-10-16(11-20(24)23-18-7-5-6-8-18)15(3)9-17(19)12-22-21(25)13-26-4/h9,14,16-19H,5-8,10-13H2,1-4H3,(H,22,25)(H,23,24)/t16-,17-,19-/m0/s1
InChIKeySMFDXVYZGWKJRD-LNLFQRSKSA-N
XLogP3.05
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.53
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[(1S,4S,5S)-4-[[(2-methoxyacetyl)amino]methyl]-2-methyl-5-propan-2-ylcyclohex-2-en-1-yl]acetamide?
The IUPAC name of N-cyclopentyl-2-[(1S,4S,5S)-4-[[(2-methoxyacetyl)amino]methyl]-2-methyl-5-propan-2-ylcyclohex-2-en-1-yl]acetamide (CID 38027334) is N-cyclopentyl-2-[(1S,4S,5S)-4-[[(2-methoxyacetyl)amino]methyl]-2-methyl-5-propan-2-ylcyclohex-2-en-1-yl]acetamide.
What is the SMILES notation for N-cyclopentyl-2-[(1S,4S,5S)-4-[[(2-methoxyacetyl)amino]methyl]-2-methyl-5-propan-2-ylcyclohex-2-en-1-yl]acetamide?
The canonical SMILES for N-cyclopentyl-2-[(1S,4S,5S)-4-[[(2-methoxyacetyl)amino]methyl]-2-methyl-5-propan-2-ylcyclohex-2-en-1-yl]acetamide is COCC(=O)NC[C@@H]1C=C(C)[C@H](CC(=O)NC2CCCC2)C[C@H]1C(C)C.
What is the InChIKey of N-cyclopentyl-2-[(1S,4S,5S)-4-[[(2-methoxyacetyl)amino]methyl]-2-methyl-5-propan-2-ylcyclohex-2-en-1-yl]acetamide?
The InChIKey is SMFDXVYZGWKJRD-LNLFQRSKSA-N. The full InChI is InChI=1S/C21H36N2O3/c1-14(2)19-10-16(11-20(24)23-18-7-5-6-8-18)15(3)9-17(19)12-22-21(25)13-26-4/h9,14,16-19H,5-8,10-13H2,1-4H3,(H,22,25)(H,23,24)/t16-,17-,19-/m0/s1.
What are the key properties of N-cyclopentyl-2-[(1S,4S,5S)-4-[[(2-methoxyacetyl)amino]methyl]-2-methyl-5-propan-2-ylcyclohex-2-en-1-yl]acetamide?
N-cyclopentyl-2-[(1S,4S,5S)-4-[[(2-methoxyacetyl)amino]methyl]-2-methyl-5-propan-2-ylcyclohex-2-en-1-yl]acetamide has a molecular weight of 364.53 g/mol, XLogP of 3.05, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[(1S,4S,5S)-4-[[(2-methoxyacetyl)amino]methyl]-2-methyl-5-propan-2-ylcyclohex-2-en-1-yl]acetamide is sourced from PubChem (CID 38027334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).