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

C24H42N2O4 — CID 74578712

IUPACN-cyclopentyl-2-[1-hydroxy-7-(3-methoxypropanoylamino)-4a,8-dimethyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl]propanamide
SMILESCOCCC(=O)NC1CCC2(C)CCC(C(C)C(=O)NC3CCCC3)C(O)C2C1C
InChIInChI=1S/C24H42N2O4/c1-15(23(29)25-17-7-5-6-8-17)18-9-12-24(3)13-10-19(16(2)21(24)22(18)28)26-20(27)11-14-30-4/h15-19,21-22,28H,5-14H2,1-4H3,(H,25,29)(H,26,27)
InChIKeyGEQWUBLKSRVCLJ-UHFFFAOYSA-N
MW422.61 g/mol
LogP3.03
Rot. Bonds7

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

N-cyclopentyl-2-[1-hydroxy-7-(3-methoxypropanoylamino)-4a,8-dimethyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl]propanamide (PubChem CID 74578712) has the molecular formula C24H42N2O4 and a molecular weight of 422.61 g/mol. Its IUPAC name is N-cyclopentyl-2-[1-hydroxy-7-(3-methoxypropanoylamino)-4a,8-dimethyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl]propanamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[1-hydroxy-7-(3-methoxypropanoylamino)-4a,8-dimethyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl]propanamide
PubChem CID74578712
Molecular FormulaC24H42N2O4
Molecular Weight422.61 g/mol
Exact Mass422.31
IUPAC NameN-cyclopentyl-2-[1-hydroxy-7-(3-methoxypropanoylamino)-4a,8-dimethyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl]propanamide
SMILESCOCCC(=O)NC1CCC2(C)CCC(C(C)C(=O)NC3CCCC3)C(O)C2C1C
InChIInChI=1S/C24H42N2O4/c1-15(23(29)25-17-7-5-6-8-17)18-9-12-24(3)13-10-19(16(2)21(24)22(18)28)26-20(27)11-14-30-4/h15-19,21-22,28H,5-14H2,1-4H3,(H,25,29)(H,26,27)
InChIKeyGEQWUBLKSRVCLJ-UHFFFAOYSA-N
XLogP3.03
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.61
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[1-hydroxy-7-(3-methoxypropanoylamino)-4a,8-dimethyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl]propanamide?
The IUPAC name of N-cyclopentyl-2-[1-hydroxy-7-(3-methoxypropanoylamino)-4a,8-dimethyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl]propanamide (CID 74578712) is N-cyclopentyl-2-[1-hydroxy-7-(3-methoxypropanoylamino)-4a,8-dimethyl-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-7-(3-methoxypropanoylamino)-4a,8-dimethyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl]propanamide?
The canonical SMILES for N-cyclopentyl-2-[1-hydroxy-7-(3-methoxypropanoylamino)-4a,8-dimethyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl]propanamide is COCCC(=O)NC1CCC2(C)CCC(C(C)C(=O)NC3CCCC3)C(O)C2C1C.
What is the InChIKey of N-cyclopentyl-2-[1-hydroxy-7-(3-methoxypropanoylamino)-4a,8-dimethyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl]propanamide?
The InChIKey is GEQWUBLKSRVCLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42N2O4/c1-15(23(29)25-17-7-5-6-8-17)18-9-12-24(3)13-10-19(16(2)21(24)22(18)28)26-20(27)11-14-30-4/h15-19,21-22,28H,5-14H2,1-4H3,(H,25,29)(H,26,27).
What are the key properties of N-cyclopentyl-2-[1-hydroxy-7-(3-methoxypropanoylamino)-4a,8-dimethyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl]propanamide?
N-cyclopentyl-2-[1-hydroxy-7-(3-methoxypropanoylamino)-4a,8-dimethyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl]propanamide has a molecular weight of 422.61 g/mol, XLogP of 3.03, 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-7-(3-methoxypropanoylamino)-4a,8-dimethyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl]propanamide is sourced from PubChem (CID 74578712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).