N-cyclopentyl-2-[1-hydroxy-4a,8-dimethyl-7-[(2-phenoxyacetyl)amino]-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl]propanamide

C28H42N2O4 — CID 75132057

IUPACN-cyclopentyl-2-[1-hydroxy-4a,8-dimethyl-7-[(2-phenoxyacetyl)amino]-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl]propanamide
SMILESCC(C(=O)NC1CCCC1)C1CCC2(C)CCC(NC(=O)COc3ccccc3)C(C)C2C1O
InChIInChI=1S/C28H42N2O4/c1-18(27(33)29-20-9-7-8-10-20)22-13-15-28(3)16-14-23(19(2)25(28)26(22)32)30-24(31)17-34-21-11-5-4-6-12-21/h4-6,11-12,18-20,22-23,25-26,32H,7-10,13-17H2,1-3H3,(H,29,33)(H,30,31)
InChIKeyPVKIZLGKCTXJGD-UHFFFAOYSA-N
MW470.65 g/mol
LogP4.07
Rot. Bonds7

About N-cyclopentyl-2-[1-hydroxy-4a,8-dimethyl-7-[(2-phenoxyacetyl)amino]-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl]propanamide

N-cyclopentyl-2-[1-hydroxy-4a,8-dimethyl-7-[(2-phenoxyacetyl)amino]-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl]propanamide (PubChem CID 75132057) has the molecular formula C28H42N2O4 and a molecular weight of 470.65 g/mol. Its IUPAC name is N-cyclopentyl-2-[1-hydroxy-4a,8-dimethyl-7-[(2-phenoxyacetyl)amino]-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl]propanamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[1-hydroxy-4a,8-dimethyl-7-[(2-phenoxyacetyl)amino]-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl]propanamide
PubChem CID75132057
Molecular FormulaC28H42N2O4
Molecular Weight470.65 g/mol
Exact Mass470.31
IUPAC NameN-cyclopentyl-2-[1-hydroxy-4a,8-dimethyl-7-[(2-phenoxyacetyl)amino]-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl]propanamide
SMILESCC(C(=O)NC1CCCC1)C1CCC2(C)CCC(NC(=O)COc3ccccc3)C(C)C2C1O
InChIInChI=1S/C28H42N2O4/c1-18(27(33)29-20-9-7-8-10-20)22-13-15-28(3)16-14-23(19(2)25(28)26(22)32)30-24(31)17-34-21-11-5-4-6-12-21/h4-6,11-12,18-20,22-23,25-26,32H,7-10,13-17H2,1-3H3,(H,29,33)(H,30,31)
InChIKeyPVKIZLGKCTXJGD-UHFFFAOYSA-N
XLogP4.07
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.65
LogP ≤ 54.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[1-hydroxy-4a,8-dimethyl-7-[(2-phenoxyacetyl)amino]-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl]propanamide?
The IUPAC name of N-cyclopentyl-2-[1-hydroxy-4a,8-dimethyl-7-[(2-phenoxyacetyl)amino]-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl]propanamide (CID 75132057) is N-cyclopentyl-2-[1-hydroxy-4a,8-dimethyl-7-[(2-phenoxyacetyl)amino]-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl]propanamide.
What is the SMILES notation for N-cyclopentyl-2-[1-hydroxy-4a,8-dimethyl-7-[(2-phenoxyacetyl)amino]-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl]propanamide?
The canonical SMILES for N-cyclopentyl-2-[1-hydroxy-4a,8-dimethyl-7-[(2-phenoxyacetyl)amino]-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl]propanamide is CC(C(=O)NC1CCCC1)C1CCC2(C)CCC(NC(=O)COc3ccccc3)C(C)C2C1O.
What is the InChIKey of N-cyclopentyl-2-[1-hydroxy-4a,8-dimethyl-7-[(2-phenoxyacetyl)amino]-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl]propanamide?
The InChIKey is PVKIZLGKCTXJGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H42N2O4/c1-18(27(33)29-20-9-7-8-10-20)22-13-15-28(3)16-14-23(19(2)25(28)26(22)32)30-24(31)17-34-21-11-5-4-6-12-21/h4-6,11-12,18-20,22-23,25-26,32H,7-10,13-17H2,1-3H3,(H,29,33)(H,30,31).
What are the key properties of N-cyclopentyl-2-[1-hydroxy-4a,8-dimethyl-7-[(2-phenoxyacetyl)amino]-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl]propanamide?
N-cyclopentyl-2-[1-hydroxy-4a,8-dimethyl-7-[(2-phenoxyacetyl)amino]-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl]propanamide has a molecular weight of 470.65 g/mol, XLogP of 4.07, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[1-hydroxy-4a,8-dimethyl-7-[(2-phenoxyacetyl)amino]-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl]propanamide is sourced from PubChem (CID 75132057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).