(4R)-4-[(3R,3aR,5aS,6R,9aS,9bS)-3a,6-dimethyl-6-[3-oxo-3-(propan-2-ylamino)propyl]-7-prop-1-en-2-yl-2,3,4,5,5a,7,8,9,9a,9b-decahydro-1H-cyclopenta[a]naphthalen-3-yl]-N-propan-2-ylpentanamide

C32H56N2O2 — CID 134151556

IUPAC(4R)-4-[(3R,3aR,5aS,6R,9aS,9bS)-3a,6-dimethyl-6-[3-oxo-3-(propan-2-ylamino)propyl]-7-prop-1-en-2-yl-2,3,4,5,5a,7,8,9,9a,9b-decahydro-1H-cyclopenta[a]naphthalen-3-yl]-N-propan-2-ylpentanamide
SMILESC=C(C)C1CC[C@H]2[C@@H]3CC[C@H]([C@H](C)CCC(=O)NC(C)C)[C@@]3(C)CC[C@@H]2[C@@]1(C)CCC(=O)NC(C)C
InChIInChI=1S/C32H56N2O2/c1-20(2)25-12-11-24-27-14-13-26(23(7)10-15-29(35)33-21(3)4)32(27,9)18-16-28(24)31(25,8)19-17-30(36)34-22(5)6/h21-28H,1,10-19H2,2-9H3,(H,33,35)(H,34,36)/t23-,24+,25?,26-,27+,28+,31+,32-/m1/s1
InChIKeyWXLQQIXIOGZLLL-DACAJHCGSA-N
MW500.81 g/mol
LogP7.28
Rot. Bonds10

About (4R)-4-[(3R,3aR,5aS,6R,9aS,9bS)-3a,6-dimethyl-6-[3-oxo-3-(propan-2-ylamino)propyl]-7-prop-1-en-2-yl-2,3,4,5,5a,7,8,9,9a,9b-decahydro-1H-cyclopenta[a]naphthalen-3-yl]-N-propan-2-ylpentanamide

(4R)-4-[(3R,3aR,5aS,6R,9aS,9bS)-3a,6-dimethyl-6-[3-oxo-3-(propan-2-ylamino)propyl]-7-prop-1-en-2-yl-2,3,4,5,5a,7,8,9,9a,9b-decahydro-1H-cyclopenta[a]naphthalen-3-yl]-N-propan-2-ylpentanamide (PubChem CID 134151556) has the molecular formula C32H56N2O2 and a molecular weight of 500.81 g/mol. Its IUPAC name is (4R)-4-[(3R,3aR,5aS,6R,9aS,9bS)-3a,6-dimethyl-6-[3-oxo-3-(propan-2-ylamino)propyl]-7-prop-1-en-2-yl-2,3,4,5,5a,7,8,9,9a,9b-decahydro-1H-cyclopenta[a]naphthalen-3-yl]-N-propan-2-ylpentanamide.

Molecular Properties

Compound Name(4R)-4-[(3R,3aR,5aS,6R,9aS,9bS)-3a,6-dimethyl-6-[3-oxo-3-(propan-2-ylamino)propyl]-7-prop-1-en-2-yl-2,3,4,5,5a,7,8,9,9a,9b-decahydro-1H-cyclopenta[a]naphthalen-3-yl]-N-propan-2-ylpentanamide
PubChem CID134151556
Molecular FormulaC32H56N2O2
Molecular Weight500.81 g/mol
Exact Mass500.43
IUPAC Name(4R)-4-[(3R,3aR,5aS,6R,9aS,9bS)-3a,6-dimethyl-6-[3-oxo-3-(propan-2-ylamino)propyl]-7-prop-1-en-2-yl-2,3,4,5,5a,7,8,9,9a,9b-decahydro-1H-cyclopenta[a]naphthalen-3-yl]-N-propan-2-ylpentanamide
SMILESC=C(C)C1CC[C@H]2[C@@H]3CC[C@H]([C@H](C)CCC(=O)NC(C)C)[C@@]3(C)CC[C@@H]2[C@@]1(C)CCC(=O)NC(C)C
InChIInChI=1S/C32H56N2O2/c1-20(2)25-12-11-24-27-14-13-26(23(7)10-15-29(35)33-21(3)4)32(27,9)18-16-28(24)31(25,8)19-17-30(36)34-22(5)6/h21-28H,1,10-19H2,2-9H3,(H,33,35)(H,34,36)/t23-,24+,25?,26-,27+,28+,31+,32-/m1/s1
InChIKeyWXLQQIXIOGZLLL-DACAJHCGSA-N
XLogP7.28
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.81
LogP ≤ 57.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (4R)-4-[(3R,3aR,5aS,6R,9aS,9bS)-3a,6-dimethyl-6-[3-oxo-3-(propan-2-ylamino)propyl]-7-prop-1-en-2-yl-2,3,4,5,5a,7,8,9,9a,9b-decahydro-1H-cyclopenta[a]naphthalen-3-yl]-N-propan-2-ylpentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(3R,3aR,5aS,6R,9aS,9bS)-3a,6-dimethyl-6-[3-oxo-3-(propan-2-ylamino)propyl]-7-prop-1-en-2-yl-2,3,4,5,5a,7,8,9,9a,9b-decahydro-1H-cyclopenta[a]naphthalen-3-yl]-N-propan-2-ylpentanamide?
The IUPAC name of (4R)-4-[(3R,3aR,5aS,6R,9aS,9bS)-3a,6-dimethyl-6-[3-oxo-3-(propan-2-ylamino)propyl]-7-prop-1-en-2-yl-2,3,4,5,5a,7,8,9,9a,9b-decahydro-1H-cyclopenta[a]naphthalen-3-yl]-N-propan-2-ylpentanamide (CID 134151556) is (4R)-4-[(3R,3aR,5aS,6R,9aS,9bS)-3a,6-dimethyl-6-[3-oxo-3-(propan-2-ylamino)propyl]-7-prop-1-en-2-yl-2,3,4,5,5a,7,8,9,9a,9b-decahydro-1H-cyclopenta[a]naphthalen-3-yl]-N-propan-2-ylpentanamide.
What is the SMILES notation for (4R)-4-[(3R,3aR,5aS,6R,9aS,9bS)-3a,6-dimethyl-6-[3-oxo-3-(propan-2-ylamino)propyl]-7-prop-1-en-2-yl-2,3,4,5,5a,7,8,9,9a,9b-decahydro-1H-cyclopenta[a]naphthalen-3-yl]-N-propan-2-ylpentanamide?
The canonical SMILES for (4R)-4-[(3R,3aR,5aS,6R,9aS,9bS)-3a,6-dimethyl-6-[3-oxo-3-(propan-2-ylamino)propyl]-7-prop-1-en-2-yl-2,3,4,5,5a,7,8,9,9a,9b-decahydro-1H-cyclopenta[a]naphthalen-3-yl]-N-propan-2-ylpentanamide is C=C(C)C1CC[C@H]2[C@@H]3CC[C@H]([C@H](C)CCC(=O)NC(C)C)[C@@]3(C)CC[C@@H]2[C@@]1(C)CCC(=O)NC(C)C.
What is the InChIKey of (4R)-4-[(3R,3aR,5aS,6R,9aS,9bS)-3a,6-dimethyl-6-[3-oxo-3-(propan-2-ylamino)propyl]-7-prop-1-en-2-yl-2,3,4,5,5a,7,8,9,9a,9b-decahydro-1H-cyclopenta[a]naphthalen-3-yl]-N-propan-2-ylpentanamide?
The InChIKey is WXLQQIXIOGZLLL-DACAJHCGSA-N. The full InChI is InChI=1S/C32H56N2O2/c1-20(2)25-12-11-24-27-14-13-26(23(7)10-15-29(35)33-21(3)4)32(27,9)18-16-28(24)31(25,8)19-17-30(36)34-22(5)6/h21-28H,1,10-19H2,2-9H3,(H,33,35)(H,34,36)/t23-,24+,25?,26-,27+,28+,31+,32-/m1/s1.
What are the key properties of (4R)-4-[(3R,3aR,5aS,6R,9aS,9bS)-3a,6-dimethyl-6-[3-oxo-3-(propan-2-ylamino)propyl]-7-prop-1-en-2-yl-2,3,4,5,5a,7,8,9,9a,9b-decahydro-1H-cyclopenta[a]naphthalen-3-yl]-N-propan-2-ylpentanamide?
(4R)-4-[(3R,3aR,5aS,6R,9aS,9bS)-3a,6-dimethyl-6-[3-oxo-3-(propan-2-ylamino)propyl]-7-prop-1-en-2-yl-2,3,4,5,5a,7,8,9,9a,9b-decahydro-1H-cyclopenta[a]naphthalen-3-yl]-N-propan-2-ylpentanamide has a molecular weight of 500.81 g/mol, XLogP of 7.28, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(3R,3aR,5aS,6R,9aS,9bS)-3a,6-dimethyl-6-[3-oxo-3-(propan-2-ylamino)propyl]-7-prop-1-en-2-yl-2,3,4,5,5a,7,8,9,9a,9b-decahydro-1H-cyclopenta[a]naphthalen-3-yl]-N-propan-2-ylpentanamide is sourced from PubChem (CID 134151556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).